UCSF

ZINC13519013

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 11 Yes

Popular Name: DNC011575 DNC011575

Find On: PubMed — Wikipedia — Google

CAS Number: 767626-16-4

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) -0.18 2.91 -44.9 4 3 1 56 152.221 3 ↓
Mid Mid (pH 6-8) -0.18 3.38 -93.49 5 3 2 58 153.229 3 ↓
Mid Mid (pH 6-8) -0.18 2.9 -45.18 4 3 1 56 152.221 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HRH2-2-E Histamine H2 Receptor (cluster #2 Of 3), Eukaryotic Eukaryotes 93 0.89 Binding ≤ 10μM
HRH3-1-E Histamine H3 Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 1410 0.74 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HRH2_HUMAN P25021 Histamine H2 Receptor, Human 93 0.89 Binding ≤ 1μM
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 4.78 1.06 Binding ≤ 1μM
HRH2_HUMAN P25021 Histamine H2 Receptor, Human 93 0.89 Binding ≤ 10μM
HRH3_HUMAN Q9Y5N1 Histamine H3 Receptor, Human 1410 0.74 Binding ≤ 10μM
HRH3_RAT Q9QYN8 Histamine H3 Receptor, Rat 4.78 1.06 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (s) signalling events
Histamine receptors

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