UCSF

ZINC00725629

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 No

Popular Name: N'-[5-bromo-1-(4-morpholinylmethyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-methoxybenzohydrazide N'-[5-bromo-1-(4-morpholinylmeth…

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Other Names:

MFCD00613861

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) 3.11 5.21 -18.08 1 8 0 85 473.327 5 ↓
Ref Reference (pH 7) 3.11 5.35 -13.74 1 8 0 85 473.327 5 ↓
Lo Low (pH 4.5-6) 3.11 8.1 -58.48 2 8 1 86 474.335 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MET-1-E Hepatocyte Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MET_HUMAN P08581 Hepatocyte Growth Factor Receptor, Human 2200 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Sema4D mediated inhibition of cell attachment and migration

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