UCSF

ZINC12377202

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2008 21 No

Popular Name: 3-{[3-(trifluoromethyl)phenyl]imino}-1,3-dihydro-2H-indol-2-one 3-{[3-(trifluoromethyl)phenyl]im…

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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) 4.11 6.15 -7.94 1 3 0 45 290.244 2 ↓
Ref Reference (pH 7) 4.11 5.88 -10.87 1 3 0 45 290.244 2 ↓
Hi High (pH 8-9.5) 4.57 3.9 -48.4 0 3 -1 48 289.236 2 ↓
Hi High (pH 8-9.5) 4.57 4.4 -41.11 0 3 -1 48 289.236 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GALR3-1-E Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 596 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR3_HUMAN O60755 Galanin Receptor 3, Human 596 0.41 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 596 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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