UCSF

ZINC00119480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: Pilocarpine Nitrate Pilocarpine Nitrate

Find On: PubMed — Wikipedia — Google

CAS Number: 148-72-1

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) -0.24 7.74 -42.6 1 4 1 45 209.269 3 ↓
Mid Mid (pH 6-8) -0.24 7.23 -11.3 0 4 0 44 208.261 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 171 TCI
PUBCHEM_PATENT_ID EP0573455A1; EP0643710A1; US5075452; US5322942; WO1992014693A1 IBM Patent Data
Therapy miotic SMDC MicroSource

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACM1-4-E Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic Eukaryotes 1800 0.54 Binding ≤ 10μM
Z104303-1-O Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other Other 430 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104303 Z104303 Muscarinic Acetylcholine Receptor 430 0.59 Binding ≤ 1μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 430 0.59 Binding ≤ 10μM
ACM1_RAT P08482 Muscarinic Acetylcholine Receptor M1, Rat 1800 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Muscarinic acetylcholine receptors

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