UCSF

ZINC00057455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 21 Yes

Popular Name: Procyclidine hydrochloride Procyclidine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1508-76-5 , 1508-76-5, 77-37-2 [procy , 1508-76-5, 77-37-2 [procyclidine] , 32381-60-5 , 77-37-2 , [1508-76-5]

Other Names:

(-)-1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpyrrolidinium iodide; (-)-Procyclidine methyl iodide; (-)-Tricyclamol iodide; LS-138318; Pyrrolidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodide, (-)-

clidine

1-Cyclohexyl-1-phenyl-3-(1-pyrrolidinyl)-1-propanol

1-cyclohexyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-ol

1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol

1-Cyclohexyl-1-phenyl-3-pyrrolidino-1-propanol; Procyclidine; Tricyclamol

1-Pyrrolidinepropanol, .alpha.-cyclohexyl-.alpha.-phenyl-

1-PYRROLIDINEPROPANOL, alpha-CYCLOHEXYL-alpha-PHENYL-

107661-03-0

1508-76-5; D00782; Kemadrin (TN); Procyclidine hydrochloride (USP)

1508-76-5; Prestwick_125; Procyclidine hydrochloride

5-20-01-00250 (Beilstein Handbook Reference)

56172-67-9

77-37-2

77-37-2; C07378; Procyclidine

77-37-2; D08425; Procyclidine (INN)

AB00053533

AC1L1J8M

AC1Q76Z5

AC1Q77DP

AR-1L1798

Arpicolin

BPBio1_000911

BRD-A31800922-003-05-3

BRN 0088563

BSPBio_000827

BSPBio_002233

C07378

CHEBI:8448

CID4919

CPD000058821; Kemadrin; SAM002564231

CPD000058821; Procyclidine hydrochloride; SAM002564231

D08425

DAP001110

DB00387

DivK1c_000429

EINECS 201-023-0

Elorine

FDA)

IDI1_000429

INN); Procyclidine HCl (FDA

INN); Procyclidine HCl (USP

INN); Procyclidine Hydrochloride (FDA

KBio1_000429

KBio2_001342

KBio2_003910

KBio2_006478

KBio3_001733

KBioGR_000977

KBioSS_001342

Kemadrin

Kemadrine

L001290

Lergine

LS-138139

Metanin

MFCD00079236

N/A

NINDS_000429

NSC 169103

NSC169103

Osnervan

Prestwick0_000844

Prestwick1_000844

Prestwick2_000844

Prestwick3_000844

Prociclidina

Prociclidina [INN-Spanish]

Prociclidina [INN-Spanish];Procyclidinum [INN-Latin]

prociclidina; procyclidine; procyclidinum

Procidlidina

Procyclid

Procyclidine

Procyclidine (BAN

Procyclidine (INN)

Procyclidine Hydrochloride

Procyclidine [INN:BAN]

Procyclidinum

Procyclidinum [INN-Latin]

Procyklidin

Prosyklidin

Spamol

SPBio_001335

SPBio_002748

Spectrum2_001298

Spectrum3_000557

Spectrum4_000489

Spectrum5_001224

Spectrum_000862

Triciclidina

Triciloid

Tricoloid

Tricyclamol

UNII-C6QE1Q1TKR

USP)

Vagosin

WLN: T5NTJ A2XQR&- AL6TJ

Download: MOL2 SDF SMILES Flexibase

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) 4.33 9.45 -34.66 2 2 1 25 288.455 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 9.84e-03 g/l DrugBank-approved
Therapy anticholinergic SMDC Iconix
Patent Database Links EP1649857; EP1815846; EP1829527; EP1829528; US2007190043; US2007225379; WO2006019673; WO2006091697 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-7206; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER; 1 hydrogen chloride NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-7206; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMD3A-2-E Glutamate [NMDA] Receptor Subunit 3A (cluster #2 Of 6), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMD3B-2-E Glutamate [NMDA] Receptor Subunit 3B (cluster #2 Of 6), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMDE1-2-E Glutamate [NMDA] Receptor Subunit Epsilon 1 (cluster #2 Of 5), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMDE2-1-E Glutamate [NMDA] Receptor Subunit Epsilon 2 (cluster #1 Of 5), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMDE3-1-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #1 Of 4), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMDE4-2-E Glutamate [NMDA] Receptor Subunit Epsilon 4 (cluster #2 Of 6), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
NMDZ1-2-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #2 Of 6), Eukaryotic Eukaryotes 1700 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NMDZ1_HUMAN Q05586 Glutamate (NMDA) Receptor Subunit Zeta 1, Human 1700 0.38 Binding ≤ 10μM
NMD3A_HUMAN Q8TCU5 Glutamate [NMDA] Receptor Subunit 3A, Human 1700 0.38 Binding ≤ 10μM
NMD3B_HUMAN O60391 Glutamate [NMDA] Receptor Subunit 3B, Human 1700 0.38 Binding ≤ 10μM
NMDE1_HUMAN Q12879 Glutamate [NMDA] Receptor Subunit Epsilon 1, Human 1700 0.38 Binding ≤ 10μM
NMDE2_HUMAN Q13224 Glutamate [NMDA] Receptor Subunit Epsilon 2, Human 1700 0.38 Binding ≤ 10μM
NMDE3_HUMAN Q14957 Glutamate [NMDA] Receptor Subunit Epsilon 3, Human 1700 0.38 Binding ≤ 10μM
NMDE4_HUMAN O15399 Glutamate [NMDA] Receptor Subunit Epsilon 4, Human 1700 0.38 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of CaMKII
EPHB-mediated forward signaling
Ras activation uopn Ca2+ infux through NMDA receptor
Unblocking of NMDA receptor, glutamate binding and activation

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