UCSF

ZINC27657184

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 44 No

Popular Name: 3-Pyridinecarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-6-methyl-2-(4-(2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)phenyl)-5-((2-pyridinylamino)carbonyl)-, ethyl ester; 4-(2-chlorophenyl)-6-methyl-2-(4-(2-methylimidazo(4,5-c)pyrid-1-yl)phenyl)-5-(2-pyridinyl 3-Pyridinecarboxylic acid, 4-(2-…

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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) 4.88 16.7 -28.15 2 9 0 111 605.098 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAC1D-1-E Voltage-gated L-type Calcium Channel Alpha-1D Subunit (cluster #1 Of 2), Eukaryotic Eukaryotes 6800 0.16 Binding ≤ 10μM
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 5 0.26 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.26 Functional ≤ 10μM
Z50588-2-O Canis Familiaris (cluster #2 Of 7), Other Other 6600 0.16 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 29 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 13 0.25 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 13 0.25 Binding ≤ 10μM
CAC1D_HUMAN Q01668 Voltage-gated L-type Calcium Channel Alpha-1D Subunit, Human 6600 0.16 Binding ≤ 10μM
Z50588 Z50588 Canis Familiaris 6600 0.16 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 29 0.24 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 2 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline,noradrenaline inhibits insulin secretion
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Interferon gamma signaling
NCAM1 interactions
Regulation of insulin secretion

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

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