UCSF

ZINC52957434

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2010 22 Yes

Popular Name: Olanzapine Olanzapine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 132539-06-1 , [132539-06-1]

Other Names:

pin(e)

10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-

10H-Thieno(2,3-b)(1,5)benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-; 2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine; 2-methyl-4-(4-methyl-1-piperazinyl)-10 H -thieno[2,3- b ] [1,5]benzodiazepine; C17H20N4S; LS-152313; LY 1

10H-thieno[2,3-b][1,5]benzodiazepine, 2-methyl-4-(4-methyl-1-piperazinyl)-

132539-06-1

132539-06-1; C07322; Olanzapine

132539-06-1; D00454; Olanzapine (JAN/USAN/INN); Zyprexa (TN)

2-Methyl-10-(4-methyl-piperazin-1-yl)-4H-3-thia-4,9-diaza-benzo[f]azulene

2-Methyl-4-(4-methyl-1-piperazinyl)- 10H-thieno[2,3-b][1,5]benzodiazepine

2-methyl-4-(4-methyl-1-piperazinyl)-10 H -thieno[2,3- b ] [1,5]benzodiazepine

2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno(2,3-b)(1,5)benzodiazepine

2-Methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine

2-Methyl-4-(4-methylpiperazin-1-yl)-10H-benzo[b]thieno[2,3-e][1,4]diazepine

2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine

2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[2,3-b][1,5]benzodiazepine

2-methyl-4-(4-methylpiperazin-1-yl)-5H-thieno[3,2-c][1,5]benzodiazepine

5-methyl-8-(4-methylpiperazin-1-yl)-4-thia-2,9-diazatricyclo[8.4.0.0^{3,7}]tetradeca-1(10),3(7),5,8,11,13-hexaene

AC-665

AC1L1IHS

AKOS000282888

ALKS-7921

BAN

BIDD:GT0332

BIDD:PXR0138

Bio-0169

C07322

C076029

C17H20N4S

CHEBI:7735

CHEMBL715

CID4585

CPD000466345

CPD000466345; OLANZAPINE

CPD000466345; OLANZAPINE; SAM001246652

D00454

DAP000022

DB00334

Eli Lilly brand of olanzapine

FDA

FDA)

FLUOXETINE HYDROCHLORIDE; LS-187962; OLANZAPINE; SYMBYAX

FLUOXETINE HYDROCHLORIDE; LS-188022; OLANZAPINE; OLANZAPINE; FLUOXETINE HYDROCHLORIDE

HMS2051H05

HMS2089M04

HMS2093I04

I06-0784

InChI=1/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H

InChI=1/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3

INN

Jsp001969

KS-1090

KVWDHTXUZHCGIO-UHFFFAOYSA-

L000455

L005958

Lanzac

Lanzac;Olanzapine;Zyprexa;Zyprexa Intramuscular;Zyprexa Zydis

Lilly brand of olanzapine

LS-152313

LY 170053

LY-170052

LY-170053

MFCD00866702

Midax

MLS000759457

MLS001165781

MLS001195646

MLS001424057

MolPort-002-885-845

MolPort-003-666-569

MolPort-005-977-341

NA

NCGC00096077-01

NCGC00096077-03

NCGC00096077-04

Olansek

olanzapina

olanzapina; olanzapine; olanzapinum

Olanzapine (BAN

Olanzapine (FDA

Olanzapine (JAN/USAN/INN)

Olanzapine (OLA)

Olanzapine (Zyprexa)

Olanzapine [USAN:INN]

olanzapinum

Olzapin

QA-9219

S2493_Selleck

SAM001246652

SMR000466345

SPECTRUM1505024

STK634338

Symbyax

TL8000772

UNII-N7U69T4SZR

USAN)

USAN); Olanzapine Pamoate (FDA

USAN); Olanzapine Pamoate (USAN

Zalasta

Zolafren

Zydis

Zyprexa

Zyprexa (TN)

Zyprexa Intramuscular

Zyprexa Velotab

Zyprexa Zydis

Zyprexa, Zalasta, Zolafren, Olzapin, Oferta, Zypadhera

Zyprexa

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) 3.47 6.89 -8.12 1 4 0 35 312.442 1 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antipsychotic agent ZereneX Building Blocks
Target 5-HT Receptor, Dopamine Receptor Selleck Chemicals
ALOGPS_SOLUBILITY 5.06e-01 g/l DrugBank-approved
mechanism 5HT(2) and dopamine D2 receptor antagonist ZereneX Building Blocks
ALOGPS_SOLUBILITY 9.42e-02 g/l DrugBank-approved
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Therapy antipsychotic SMDC Iconix
biological_use Antipsychotic agent IBScreen Bioactives IBScreen Bioactives
Indications antipsychotic, schizophrenia, bipolar disorder KeyOrganics Bioactives
Patent Database Links EP0795330; EP0831098; EP1181933; EP1256578; EP1547650; EP1621198; EP1627639; EP1629835; EP1669359; EP1681048; EP1688137; EP1690858; EP1712225; EP1844769; EP1857103; EP1879027; EP1884243; EP1946777; EP1987844; EP1988092; EP1990639; EP1997822; US2004092605 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01035o NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01035o NIH Clinical Collection via PubChem
Indications schizophrenia, bipolar disorder KeyOrganics Bioactives
biological_use Used in the treatment of schizophrenia and bipolar disorder IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT1A-4-E Serotonin 1a (5-HT1a) Receptor (cluster #4 Of 4), Eukaryotic Eukaryotes 610 0.40 Binding ≤ 10μM
5HT2A-1-E Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9 0.51 Binding ≤ 10μM
5HT2B-1-E Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 10 0.51 Binding ≤ 10μM
5HT2C-1-E Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.52 Binding ≤ 10μM
5HT6R-2-E Serotonin 6 (5-HT6) Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.52 Binding ≤ 10μM
5HT7R-2-E Serotonin 7 (5-HT7) Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 365 0.41 Binding ≤ 10μM
ACM1-3-E Muscarinic Acetylcholine Receptor M1 (cluster #3 Of 5), Eukaryotic Eukaryotes 68 0.46 Binding ≤ 10μM
ACM2-4-E Muscarinic Acetylcholine Receptor M2 (cluster #4 Of 6), Eukaryotic Eukaryotes 68 0.46 Binding ≤ 10μM
ACM3-1-E Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 5), Eukaryotic Eukaryotes 68 0.46 Binding ≤ 10μM
ACM4-3-E Muscarinic Acetylcholine Receptor M4 (cluster #3 Of 6), Eukaryotic Eukaryotes 68 0.46 Binding ≤ 10μM
ACM5-2-E Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 4), Eukaryotic Eukaryotes 68 0.46 Binding ≤ 10μM
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.52 Binding ≤ 10μM
ADA1B-1-E Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 7 0.52 Binding ≤ 10μM
ADA1D-1-E Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.52 Binding ≤ 10μM
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2870 0.35 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2870 0.35 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 2870 0.35 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 52 0.46 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 54 0.46 Binding ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 50 0.46 Binding ≤ 10μM
HRH1-1-E Histamine H1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.52 Binding ≤ 10μM
KCNH2-1-E HERG (cluster #1 Of 5), Eukaryotic Eukaryotes 6740 0.33 Binding ≤ 10μM
Q63380-1-E Transporter (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.36 Binding ≤ 10μM
Q9WTR4-1-E Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic Eukaryotes 958 0.38 Binding ≤ 10μM
5HT2A-1-E Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.53 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 24), Eukaryotic Eukaryotes 69 0.46 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 88 0.45 Binding ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 10 0.51 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 14.6 0.50 Binding ≤ 1μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 14 0.50 Binding ≤ 1μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 14 0.50 Binding ≤ 1μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 14 0.50 Binding ≤ 1μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 140 0.44 Binding ≤ 1μM
ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 140 0.44 Binding ≤ 1μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 140 0.44 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 118 0.44 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10 0.51 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 15.7 0.50 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 17 0.49 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 39 0.47 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 39 0.47 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 173 0.43 Binding ≤ 1μM
KCNH2_HUMAN Q12809 HERG, Human 181 0.43 Binding ≤ 1μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 0.3 0.61 Binding ≤ 1μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 1.2 0.57 Binding ≤ 1μM
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 22 0.49 Binding ≤ 1μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 2.1 0.55 Binding ≤ 1μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 26 0.48 Binding ≤ 1μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 26 0.48 Binding ≤ 1μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 26 0.48 Binding ≤ 1μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 26 0.48 Binding ≤ 1μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 958 0.38 Binding ≤ 1μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 610 0.40 Binding ≤ 1μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 12 0.50 Binding ≤ 1μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 1.9 0.55 Binding ≤ 1μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 12 0.50 Binding ≤ 1μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 10 0.51 Binding ≤ 1μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 10 0.51 Binding ≤ 1μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 12 0.50 Binding ≤ 1μM
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 10 0.51 Binding ≤ 1μM
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 365 0.41 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 14.6 0.50 Binding ≤ 10μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 14 0.50 Binding ≤ 10μM
ADA1B_HUMAN P35368 Alpha-1b Adrenergic Receptor, Human 14 0.50 Binding ≤ 10μM
ADA1D_HUMAN P25100 Alpha-1d Adrenergic Receptor, Human 14 0.50 Binding ≤ 10μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 140 0.44 Binding ≤ 10μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 2870 0.35 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 2870 0.35 Binding ≤ 10μM
ADA2B_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 140 0.44 Binding ≤ 10μM
ADA2C_HUMAN P18825 Alpha-2c Adrenergic Receptor, Human 140 0.44 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 2870 0.35 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 10 0.51 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 118 0.44 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 17 0.49 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 15.7 0.50 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 39 0.47 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 39 0.47 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 173 0.43 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 181 0.43 Binding ≤ 10μM
HRH1_HUMAN P35367 Histamine H1 Receptor, Human 1.2 0.57 Binding ≤ 10μM
HRH1_RAT P31390 Histamine H1 Receptor, Rat 0.3 0.61 Binding ≤ 10μM
ACM1_HUMAN P11229 Muscarinic Acetylcholine Receptor M1, Human 2.1 0.55 Binding ≤ 10μM
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 22 0.49 Binding ≤ 10μM
ACM2_HUMAN P08172 Muscarinic Acetylcholine Receptor M2, Human 26 0.48 Binding ≤ 10μM
ACM3_HUMAN P20309 Muscarinic Acetylcholine Receptor M3, Human 26 0.48 Binding ≤ 10μM
ACM4_HUMAN P08173 Muscarinic Acetylcholine Receptor M4, Human 26 0.48 Binding ≤ 10μM
ACM5_HUMAN P08912 Muscarinic Acetylcholine Receptor M5, Human 26 0.48 Binding ≤ 10μM
Q9WTR4_RAT Q9WTR4 Norepinephrine Transporter, Rat 958 0.38 Binding ≤ 10μM
5HT1A_RAT P19327 Serotonin 1a (5-HT1a) Receptor, Rat 610 0.40 Binding ≤ 10μM
5HT1A_HUMAN P08908 Serotonin 1a (5-HT1a) Receptor, Human 2100 0.36 Binding ≤ 10μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 1.9 0.55 Binding ≤ 10μM
5HT2A_RAT P14842 Serotonin 2a (5-HT2a) Receptor, Rat 12 0.50 Binding ≤ 10μM
5HT2B_RAT P30994 Serotonin 2b (5-HT2b) Receptor, Rat 12 0.50 Binding ≤ 10μM
5HT2B_HUMAN P41595 Serotonin 2b (5-HT2b) Receptor, Human 10 0.51 Binding ≤ 10μM
5HT2C_RAT P08909 Serotonin 2c (5-HT2c) Receptor, Rat 12 0.50 Binding ≤ 10μM
5HT2C_HUMAN P28335 Serotonin 2c (5-HT2c) Receptor, Human 10 0.51 Binding ≤ 10μM
5HT6R_HUMAN P50406 Serotonin 6 (5-HT6) Receptor, Human 10 0.51 Binding ≤ 10μM
5HT7R_HUMAN P34969 Serotonin 7 (5-HT7) Receptor, Human 365 0.41 Binding ≤ 10μM
Q63380_RAT Q63380 Transporter, Rat 2000 0.36 Binding ≤ 10μM
Z50594 Z50594 Mus Musculus 10 0.51 Functional ≤ 10μM
5HT2A_HUMAN P28223 Serotonin 2a (5-HT2a) Receptor, Human 4 0.53 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Acetylcholine regulates insulin secretion
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
Dopamine receptors
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
Histamine receptors
Muscarinic acetylcholine receptors
Serotonin receptors
Voltage gated Potassium channels

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

No pre-computed analogs available. Try a structural similarity search.