UCSF

ZINC38577915

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 36 Yes

Popular Name: 6-[4-[1-(1H-imidazol-2-yl)cyclopropyl]phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyr 6-[4-[1-(1H-imidazol-2-yl)cyclop…

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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) 4.30 12.62 -39.8 2 7 1 77 494.497 6 ↓
Mid Mid (pH 6-8) 4.30 12.21 -15.16 1 7 0 76 493.489 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-1-E Coagulation Factor X (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.35 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 1.1 0.35 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 1.1 0.35 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Common Pathway
Extrinsic Pathway
Gamma-carboxylation of protein precursors
Intrinsic Pathway
Removal of aminoterminal propeptides from gamma-carboxylated proteins
Transport of gamma-carboxylated protein precursors from the endoplasmic reticulu

Rings

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

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