UCSF

ZINC12350577

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2008 18 No

Popular Name: 2-{[(4-chlorobenzoyl)oxy]ethanimidoyl}-1,3-thiazole 2-{[(4-chlorobenzoyl)oxy]ethanim…

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CAS Number: 866050-61-5

Other Names:

MFCD04125881

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) 3.33 7.81 -9.74 0 4 0 52 280.736 4 ↓

Vendor Notes

Note Type Comments Provided By
Indications RBBP9 inhibitor KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RBBP9-1-E Putative Hydrolase RBBP9 (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RBBP9_HUMAN O75884 Putative Hydrolase RBBP9, Human 1900 0.44 Binding ≤ 10μM

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

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