UCSF

ZINC00537822

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 26 Yes

Popular Name: Haloperidol Haloperidol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 136765-35-0 , 52-86-3 , 52-86-8 , [52-86-8]

Other Names:

peridol

1-(3-p-Fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine; 1-Butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-; 4'-Fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone; 4'-Fluoro-4-(4-hydroxy-4-(4'-chlorophenyl

1-(3-p-fluorobenzoylpropyl)-4-p-chlorophenyl-4-hydroxypiperidine; 4'-fluoro-4-(4-(p-chlorophenyl)-4-hydroxypiperidinyl)butyrophenone; 4'-fluoro-4-(4-hydroxy-4-(4'-chlorophenyl)piperidino)butyrophenone; 4-(4-(para-chlorophenyl)-4-hydroxypiperidino)-4'-fluo

1-Butanone,4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl-2,3,5,6-d4)-(9CI)

4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1-(4-fluoro-phenyl)-butan-1-one

4-[4-(4-Chlorophenyl)-4-hydroxy-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

4-[4-(4-chlorophenyl)-4-hydroxypiperidino]-1-(4-fluorophenyl)butan-1-one

5-21-02-00377 (Beilstein Handbook Reference)

52-86-8

52-86-8; C01814; Haloperidol

52-86-8; D00136; Haldol (TN); Haloperidol (JP16/USP/INN)

52-86-8; Haloperidol; Prestwick_250

66

AB00052008

AC-19691

AC1L1G7K

AC1Q77Z0

AKOS000280660

ALDO

Aloperidin

Aloperidin, Bioperidolo, Brotopon, Dozic, Duraperidol, Einalon S

Aloperidol

Aloperidolo

Aloperidolo [DCIT]

Aloperidolo [Italian]

Aloperidon

Apo-Haloperidol

BIDD:GT0128

Bio-0705

Biomol-NT_000035

Bioperidolo

BPBio1_000144

BPBio1_001231

BRD-K67783091-001-04-8

BRD-K67783091-001-05-5

BRN 0331267

Brotopon

BSPBio_000130

BSPBio_002096

C01814

C21H23ClFNO2

CAS-52-86-8

CCRIS 1630

CHEBI:5613

CHEMBL54

CID3559

cMAP_000037

CPD000449283; Haloperidol

CPD000449283; Haloperidol; SAM001246979

D00136

D006220

DAP000313

DB00502

DivK1c_000654

Dozic

Dozix

Einalon S

EINECS 200-155-6

EU-0100583

Eukystol

FDA

Fortunan

Galoperidol

H 1512

H0912

H1512_SIGMA

Haldol

Haldol Decanoate

Haldol La

Haldol solutab

Halidol

Halojust

Halol

Halopal

Haloperido

Haloperidol (BAN

Haloperidol (Haldol)

Haloperidol (JP15/USP)

Haloperidol (JP15/USP/INN)

Haloperidol Decanoate

HALOPERIDOL HYDROCHLORIDE

Haloperidol Intensol

Haloperidol Lactate

Haloperidol [USAN:INN:BAN:JAN]

HALOPERIDOL-D4

haloperidol; haloperidolum

Haloperidolum

Haloperidolum [INN-Latin]

Halopidol

Halopoidol

Halosten

HMS1568G12

HMS1920D03

HMS2089M15

HMS2091J09

HMS502A16

HSDB 3093

I14-13404

I14-14165

IDI1_000654

INN

JAN

KBio1_000654

KBio2_001341

KBio2_002390

KBio2_003909

KBio2_004958

KBio2_006477

KBio2_007526

KBio3_001316

KBio3_002869

KBioGR_000980

KBioGR_002390

KBioSS_001341

KBioSS_002395

Keselan

Keselen

L000288

Lealgin Compositum

Linton

LNEPOXFFQSENCJ-UHFFFAOYSA-

LS-46667

LS-48311

MCN-JR-1625

MCN-JR-1625; R-1625

MFCD00051423

MFCD00673961

Mixidol

MLS000028450

MLS001146904

MolPort-000-883-311

NCGC00015500-01

NCGC00015500-02

NCGC00015500-06

NCGC00015500-14

NCGC00016234-01

NCGC00023875-02

NCGC00023875-04

NCGC00023875-05

NCGC00023875-06

NCGC00023875-07

NCGC00023875-08

NCGC00023875-09

NINDS_000654

Novo-Peridol

NSC 170973

NSC 615296

NSC170973

NSC615296

Oprea1_509923

Pekuces

Peluces

Peridol

Pernox

Pms Haloperidol

Prestwick0_000115

Prestwick1_000115

Prestwick2_000115

Prestwick3_000115

Prestwick_250

Probes1_000255

Probes2_000296

QTL1_000042

R 1625

R-1625

S1920_Selleck

Serenace

Serenase

Serenelfi

Sernas

Sernel

Sigaperidol

SMR000058303

SPBio_001236

SPBio_002069

SPECTRUM1500325

Spectrum2_001268

Spectrum3_000448

Spectrum4_000570

Spectrum5_000788

Spectrum_000861

Tocris-0931

Ulcolind

Uliolind

UNII-J6292F8L3D

USAN

USP); Haloperidol Lactate (FDA)

Vesalium

WLN: T6NTJ A3VR DF& DQ DR DG

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.30 10.74 -49.71 2 3 1 42 376.879 6 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Tranquilliser ZereneX Building Blocks
Molecular_Solubility 5.7 Bitter DB
MP 152 TCI
ALOGPS_SOLUBILITY 4.46e-03 g/l DrugBank-approved
Purity 99% Fluorochem
therap antidyskinetic, antipsychotic MicroSource Spectrum
biological_use Antipsychotic IBScreen Bioactives
Target Dopamine Receptor Selleck Chemicals
Therapy Dopamine receptor antagonist; antipsychotic SMDC Iconix
mechanism Dopaminergic antagonist with activity at sigma and NMDA receptors.Also reported to be a potassium channel (IK Ca ) blocker IBScreen Bioactives
Patent Database Links EP1181933; EP1547650; EP1621198; EP1627639; EP1700601; EP1712225; EP1815854; EP1829534; EP1844769; EP1879027; EP1884243; EP1946777; EP1990639; US2002061879; US2002143007; US2002147336; US2004122164; US2004138502; US2004142904; US2004147687; US2004176595 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 100330; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 100330; SALT: 1 hydrogen chloride NIH Clinical Collection via PubChem
biological_use Tranquilliser IBScreen Bioactives IBScreen Bioactives
Purity USP23 APIChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-1-E Serotonin 1a (5-HT1a) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 7000 0.28 Binding ≤ 10μM
5HT1B-1-E Serotonin 1b (5-HT1b) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.34 Binding ≤ 10μM
5HT1D-1-E Serotonin 1d (5-HT1d) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.34 Binding ≤ 10μM
5HT1E-1-E Serotonin 1e (5-HT1e) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.34 Binding ≤ 10μM
5HT1F-1-E Serotonin 1f (5-HT1f) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.34 Binding ≤ 10μM
5HT2A-1-E Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 30 0.41 Binding ≤ 10μM
5HT2B-2-E Serotonin 2b (5-HT2b) Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 27 0.41 Binding ≤ 10μM
5HT2C-2-E Serotonin 2c (5-HT2c) Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 27 0.41 Binding ≤ 10μM
5HT6R-1-E Serotonin 6 (5-HT6) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.28 Binding ≤ 10μM
5HT7R-1-E Serotonin 7 (5-HT7) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 263 0.35 Binding ≤ 10μM
ACM1-3-E Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic Eukaryotes 5500 0.28 Binding ≤ 10μM
ACM2-1-E Muscarinic Acetylcholine Receptor M2 (cluster #1 Of 6), Eukaryotic Eukaryotes 6120 0.28 Binding ≤ 10μM
ACM3-1-E Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic Eukaryotes 4670 0.29 Binding ≤ 10μM
ACM4-1-E Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic Eukaryotes 4670 0.29 Binding ≤ 10μM
ACM5-2-E Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic Eukaryotes 4670 0.29 Binding ≤ 10μM
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 19 0.42 Binding ≤ 10μM
ADA1B-1-E Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9600 0.27 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9600 0.27 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9600 0.27 Binding ≤ 10μM
AP2S1-1-E AP-2 Complex Subunit Sigma (cluster #1 Of 1), Eukaryotic Eukaryotes 24 0.41 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 500 0.34 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 13 0.42 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 9 0.43 Binding ≤ 10μM
EBP-1-E 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase (cluster #1 Of 1), Eukaryotic Eukaryotes 190 0.36 Binding ≤ 10μM
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 730 0.33 Binding ≤ 10μM
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 7520 0.28 Binding ≤ 10μM
MDR1-1-E P-glycoprotein 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 5300 0.28 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 5687 0.28 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 5687 0.28 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 5687 0.28 Binding ≤ 10μM
Q63380-1-E Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 5500 0.28 Binding ≤ 10μM
SC6A4-3-E Serotonin Transporter (cluster #3 Of 4), Eukaryotic Eukaryotes 1800 0.31 Binding ≤ 10μM
SCN1A-2-E Sodium Channel Protein Type I Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.32 Binding ≤ 10μM
SCN2A-1-E Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.32 Binding ≤ 10μM
SCN3A-2-E Sodium Channel Protein Type III Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.32 Binding ≤ 10μM
SCN8A-2-E Sodium Channel Protein Type VIII Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.32 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 550 0.34 Functional ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.41 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 6 0.44 Binding ≤ 10μM
ERG2-2-F C-8 Sterol Isomerase (cluster #2 Of 2), Fungal Fungi 1 0.48 Binding ≤ 10μM
Z100491-1-O Sigma 2 Receptor (cluster #1 Of 2), Other Other 70 0.39 Binding ≤ 10μM
Z104303-1-O Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other Other 7466 0.28 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 9 0.43 Binding ≤ 10μM
Z103204-1-O A427 (cluster #1 Of 4), Other Other 10000 0.27 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3162 0.30 Functional ≤ 10μM
Z50466-1-O Trypanosoma Cruzi (cluster #1 Of 8), Other Other 7000 0.28 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 10 0.43 Functional ≤ 10μM
Z80091-1-O CHO-hD3 (cluster #1 Of 1), Other Other 9 0.43 Functional ≤ 10μM
Q4U254-1-V Human Rhinovirus A Protease (cluster #1 Of 3), Viral Viruses 100 0.38 Binding ≤ 10μM
Q72874-1-V Human Immunodeficiency Virus Type 1 Protease (cluster #1 Of 3), Viral Viruses 100 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EBP_HUMAN Q15125 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human 190 0.36 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 1 0.48 Binding ≤ 1μM
ADA1A_BOVIN P18130 Alpha-1a Adrenergic Receptor, Bovin 20 0.41 Binding ≤ 1μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 19 0.42 Binding ≤ 1μM
ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 19 0.42 Binding ≤ 1μM
ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 19 0.42 Binding ≤ 1μM
ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 19 0.42 Binding ≤ 1μM
AP2S1_RAT P62744 AP-2 Complex Subunit Sigma, Rat 24.2 0.41 Binding ≤ 1μM
ERG2_YEAST P32352 C-8 Sterol Isomerase, Yeast 0.5 0.50 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 23.5 0.41 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 0.28 0.51 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 120 0.37 Binding ≤ 1μM
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 1.8 0.47 Binding ≤ 1μM
DRD1_PIG P50130 Dopamine D1 Receptor, Pig 93 0.38 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.12 0.53 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 41 0.40 Binding ≤ 1μM
DRD2_CHLAE P52702 Dopamine D2 Receptor, Chlae 4.8 0.45 Binding ≤ 1μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 0.3 0.51 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.69 0.49 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.28 0.51 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 0.28 0.51 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 0.74 0.49 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.8 0.47 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 0.28 0.51 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 120 0.37 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 384 0.35 Binding ≤ 1μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 440 0.34 Binding ≤ 1μM
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 100 0.38 Binding ≤ 1μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 100 0.38 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 23.5 0.41 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 23.5 0.41 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 54 0.39 Binding ≤ 1μM
ACM2_RAT P10980 Muscarinic Acetylcholine Receptor M2, Rat 238 0.36 Binding ≤ 1μM
MDR1_HUMAN P08183 P-glycoprotein 1, Human 200 0.36 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 400 0.34 Binding ≤ 1μM
5HT1B_RAT P28564 Serotonin 1b (5-HT1b) Receptor, Rat 400 0.34 Binding ≤ 1μM
5HT1D_RAT P28565 Serotonin 1d (5-HT1d) Receptor, Rat 400 0.34 Binding ≤ 1μM
5HT1E_HUMAN P28566 Serotonin 1e (5-HT1e) Receptor, Human 400 0.34 Binding ≤ 1μM
5HT1F_RAT P30940 Serotonin 1f (5-HT1f) Receptor, Rat 400 0.34 Binding ≤ 1μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 10.6 0.43 Binding ≤ 1μM
5HT2A_MOUSE P35363 Serotonin 2a (5-HT2a) Receptor, Mouse 26.5 0.41 Binding ≤ 1μM
5HT2A_BOVIN Q75Z89 Serotonin 2a (5-HT2a) Receptor, Bovin 30 0.41 Binding ≤ 1μM
5HT2A_PIG P50129 Serotonin 2a (5-HT2a) Receptor, Pig 30 0.41 Binding ≤ 1μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 108 0.38 Binding ≤ 1μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 10.6 0.43 Binding ≤ 1μM
5HT2B_MOUSE Q02152 Serotonin 2b (5-HT2b) Receptor, Mouse 26.5 0.41 Binding ≤ 1μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 16 0.42 Binding ≤ 1μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 10.6 0.43 Binding ≤ 1μM
5HT2C_MOUSE P34968 Serotonin 2c (5-HT2c) Receptor, Mouse 26.5 0.41 Binding ≤ 1μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 16 0.42 Binding ≤ 1μM
5HT7R_RAT P32305 Serotonin 7 (5-HT7) Receptor, Rat 263 0.35 Binding ≤ 1μM
Z100491 Z100491 Sigma 2 Receptor 11.7 0.43 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.65 0.49 Binding ≤ 1μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.2 0.52 Binding ≤ 1μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 0.83 0.49 Binding ≤ 1μM
EBP_HUMAN Q15125 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase, Human 190 0.36 Binding ≤ 10μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 1 0.48 Binding ≤ 10μM
ADA1A_BOVIN P18130 Alpha-1a Adrenergic Receptor, Bovin 20 0.41 Binding ≤ 10μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 19 0.42 Binding ≤ 10μM
ADA1A_RAT P43140 Alpha-1a Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 19 0.42 Binding ≤ 10μM
ADA1B_RAT P15823 Alpha-1b Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 19 0.42 Binding ≤ 10μM
ADA1D_RAT P23944 Alpha-1d Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 19 0.42 Binding ≤ 10μM
AP2S1_RAT P62744 AP-2 Complex Subunit Sigma, Rat 24.2 0.41 Binding ≤ 10μM
ERG2_YEAST P32352 C-8 Sterol Isomerase, Yeast 0.5 0.50 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 23.5 0.41 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 0.28 0.51 Binding ≤ 10μM
DRD1_BOVIN Q95136 Dopamine D1 Receptor, Bovin 1.8 0.47 Binding ≤ 10μM
DRD1_PIG P50130 Dopamine D1 Receptor, Pig 93 0.38 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 120 0.37 Binding ≤ 10μM
DRD2_BOVIN P20288 Dopamine D2 Receptor, Bovin 0.3 0.51 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 41 0.40 Binding ≤ 10μM
DRD2_CHLAE P52702 Dopamine D2 Receptor, Chlae 4.8 0.45 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.12 0.53 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.69 0.49 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.28 0.51 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 0.28 0.51 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 0.74 0.49 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 0.28 0.51 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 1.8 0.47 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 120 0.37 Binding ≤ 10μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 2100 0.31 Binding ≤ 10μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 440 0.34 Binding ≤ 10μM
Q72874_9HIV1 Q72874 Human Immunodeficiency Virus Type 1 Protease, 9hiv1 100 0.38 Binding ≤ 10μM
Q4U254_9ENTO Q4U254 Human Rhinovirus A Protease, 9ento 100 0.38 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 23.5 0.41 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 23.5 0.41 Binding ≤ 10μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 54 0.39 Binding ≤ 10μM
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 1800 0.31 Binding ≤ 10μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 1600 0.31 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 4670 0.29 Binding ≤ 10μM
ACM2_RAT P10980 Muscarinic Acetylcholine Receptor M2, Rat 238 0.36 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 4670 0.29 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 4670 0.29 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 4670 0.29 Binding ≤ 10μM
MDR1_HUMAN P08183 P-glycoprotein 1, Human 200 0.36 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 1800 0.31 Binding ≤ 10μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 1500 0.31 Binding ≤ 10μM
5HT1B_RAT P28564 Serotonin 1b (5-HT1b) Receptor, Rat 400 0.34 Binding ≤ 10μM
5HT1D_RAT P28565 Serotonin 1d (5-HT1d) Receptor, Rat 400 0.34 Binding ≤ 10μM
5HT1E_HUMAN P28566 Serotonin 1e (5-HT1e) Receptor, Human 400 0.34 Binding ≤ 10μM
5HT1F_RAT P30940 Serotonin 1f (5-HT1f) Receptor, Rat 400 0.34 Binding ≤ 10μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 108 0.38 Binding ≤ 10μM
5HT2A_MOUSE P35363 Serotonin 2a (5-HT2a) Receptor, Mouse 26.5 0.41 Binding ≤ 10μM
5HT2A_BOVIN Q75Z89 Serotonin 2a (5-HT2a) Receptor, Bovin 30 0.41 Binding ≤ 10μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 10.6 0.43 Binding ≤ 10μM
5HT2A_PIG P50129 Serotonin 2a (5-HT2a) Receptor, Pig 30 0.41 Binding ≤ 10μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 16 0.42 Binding ≤ 10μM
5HT2B_MOUSE Q02152 Serotonin 2b (5-HT2b) Receptor, Mouse 26.5 0.41 Binding ≤ 10μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 10.6 0.43 Binding ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 16 0.42 Binding ≤ 10μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 10.6 0.43 Binding ≤ 10μM
5HT2C_MOUSE P34968 Serotonin 2c (5-HT2c) Receptor, Mouse 26.5 0.41 Binding ≤ 10μM
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 6000 0.28 Binding ≤ 10μM
5HT7R_RAT P32305 Serotonin 7 (5-HT7) Receptor, Rat 263 0.35 Binding ≤ 10μM
SC6A4_HUMAN P31645 Serotonin Transporter, Human 1800 0.31 Binding ≤ 10μM
Z100491 Z100491 Sigma 2 Receptor 11.7 0.43 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 0.65 0.49 Binding ≤ 10μM
SGMR1_HUMAN Q99720 Sigma Opioid Receptor, Human 0.2 0.52 Binding ≤ 10μM
SGMR1_CAVPO Q60492 Sigma-1 Receptor, Guinea Pig 0.83 0.49 Binding ≤ 10μM
SCN1A_HUMAN P35498 Sodium Channel Protein Type I Alpha Subunit, Human 1200 0.32 Binding ≤ 10μM
SCN2A_HUMAN Q99250 Sodium Channel Protein Type II Alpha Subunit, Human 1200 0.32 Binding ≤ 10μM
SCN3A_HUMAN Q9NY46 Sodium Channel Protein Type III Alpha Subunit, Human 1200 0.32 Binding ≤ 10μM
SCN8A_HUMAN Q9UQD0 Sodium Channel Protein Type VIII Alpha Subunit, Human 1200 0.32 Binding ≤ 10μM
Q63380_RAT Q63380 Transporter, Rat 5500 0.28 Binding ≤ 10μM
Z103204 Z103204 A427 10000 0.27 Functional ≤ 10μM
Z80091 Z80091 CHO-hD3 8.8 0.43 Functional ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 1500 0.31 Functional ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 28.1 0.41 Functional ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 1995.26231 0.31 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 10 0.43 Functional ≤ 10μM
Z50466 Z50466 Trypanosoma Cruzi 7000 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Abacavir transmembrane transport
ABC-family proteins mediated transport
Acetylcholine regulates insulin secretion
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
Cholesterol biosynthesis
Dopamine receptors
EGFR downregulation
G alpha (12/13) signalling events
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (s) signalling events
G alpha (z) signalling events
G-protein activation
Histamine receptors
Interaction between L1 and Ankyrins
MHC class II antigen presentation
Muscarinic acetylcholine receptors
Opioid Signalling
Peptide ligand-binding receptors
Recycling pathway of L1
Retrograde neurotrophin signalling
Serotonin receptors
Trafficking of GluR2-containing AMPA receptors
Voltage gated Potassium channels
WNT5A-dependent internalization of FZD4

Analogs ( Draw Identity 99% 90% 80% 70% )