UCSF

ZINC43076136

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 32 Yes

Popular Name: 2-((4-(Methylthio)phenyl)amino)-1-(2-(trifluoromethyl)benzyl)-1H-benzo[d]imidazole-5-carboxamide 2-((4-(Methylthio)phenyl)amino)-…

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CAS Numbers: 1092829-83-8 , [1092829-83-8]

Other Names:

MFCD16660162

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) 5.48 12.81 -15.09 3 5 0 73 456.493 7 ↓
Lo Low (pH 4.5-6) 5.48 12.98 -34.05 4 5 1 74 457.501 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KIF11-1-E Kinesin-like Protein 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 520 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 520 0.27 Binding ≤ 1μM
KIF11_HUMAN P52732 Kinesin-like Protein 1, Human 520 0.27 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Kinesins
MHC class II antigen presentation

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

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