UCSF

ZINC36410989

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 34 Yes

Popular Name: N-[(1R)-2-[4-(1-methyl-4-piperidyl)piperazin-1-yl]-2-oxo-1-phenyl-ethyl]-1H-indole-6-carboxamide N-[(1R)-2-[4-(1-methyl-4-piperid…

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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) 2.57 7.09 -12 2 7 0 72 459.594 5 ↓
Mid Mid (pH 6-8) 2.57 9.47 -46.44 3 7 1 73 460.602 5 ↓
Lo Low (pH 4.5-6) 2.57 11.62 -117.36 4 7 2 74 461.61 5 ↓
Lo Low (pH 4.5-6) 2.57 9.23 -48.7 3 7 1 73 460.602 5 ↓

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 5 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 4.6 0.34 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 4.6 0.34 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

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

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