UCSF

ZINC13473570

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 21 No

Popular Name: N'-(4-bromophenyl)-N-(3-chlorophenyl)-2-oxopropanehydrazonamide N'-(4-bromophenyl)-N-(3-chloroph…

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Other Names:

MFCD01239351

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) 4.18 8.73 -9.91 2 4 0 53 366.646 5 ↓
Ref Reference (pH 7) 4.18 9.34 -4.55 2 4 0 53 366.646 5 ↓
Mid Mid (pH 6-8) 5.72 9.64 -33.62 3 4 1 55 367.654 5 ↓
Lo Low (pH 4.5-6) 5.72 9.24 -40.04 3 4 1 55 367.654 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CRFR1-1-E Corticotropin Releasing Factor Receptor 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 1459 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CRFR1_HUMAN P34998 Corticotropin Releasing Factor Receptor 1, Human 1459 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class B/2 (Secretin family receptors)
G alpha (s) signalling events

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

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