UCSF

ZINC00000010

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 16 No

Popular Name: Acifran Acifran

Find On: PubMed — Wikipedia — Google

CAS Number: 72420-38-3

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) 1.42 5.57 -41.98 0 4 -1 66 217.2 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-1-E HM74 Nicotinic Acid GPCR (cluster #1 Of 4), Eukaryotic Eukaryotes 500 0.55 Binding ≤ 10μM
HCAR3-1-E HM74 Nicotinic Acid GPCR (cluster #1 Of 1), Eukaryotic Eukaryotes 4200 0.47 Binding ≤ 10μM
HCAR2-3-E HM74 Nicotinic Acid GPCR (cluster #3 Of 3), Eukaryotic Eukaryotes 520 0.55 Functional ≤ 10μM
HCAR3-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 2), Eukaryotic Eukaryotes 4200 0.47 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 500 0.55 Binding ≤ 1μM
HCAR3_HUMAN P49019 HM74 Nicotinic Acid GPCR, Human 3000 0.48 Binding ≤ 10μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1300 0.52 Binding ≤ 10μM
HCAR3_HUMAN P49019 HM74 Nicotinic Acid GPCR, Human 3000 0.48 Functional ≤ 10μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1300 0.52 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

Rings

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