UCSF

ZINC05382766

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 22 No

Popular Name: 1-allyl-3-[(3,4-dichlorophenyl)imino]-1,3-dihydro-2H-indol-2-one 1-allyl-3-[(3,4-dichlorophenyl)i…

Find On: PubMed — Wikipedia — Google

CAS Number: 338414-69-0

Other Names:

MFCD01314943

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) 5.24 9.61 -7.56 0 3 0 34 331.202 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 179 - 181 KeyOrganics

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 150 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR3_HUMAN O60755 Galanin Receptor 3, Human 150 0.43 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 150 0.43 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% )

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