UCSF

ZINC28524841

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 36 Yes

Popular Name: N-[(7-carbamimidoyl-2-naphthyl)methyl]-N-(3-morpholinopropyl)naphthalene-1-carboxamide N-[(7-carbamimidoyl-2-naphthyl)m…

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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) 3.15 11.03 -52.05 4 6 1 84 481.62 8 ↓
Mid Mid (pH 6-8) 3.15 13.36 -107.29 5 6 2 86 482.628 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA10-2-E Coagulation Factor X (cluster #2 Of 2), Eukaryotic Eukaryotes 442 0.25 Binding ≤ 10μM
FA7-1-E Coagulation Factor VII (cluster #1 Of 1), Eukaryotic Eukaryotes 121 0.27 Binding ≤ 10μM
TRY1-1-E Trypsin I (cluster #1 Of 5), Eukaryotic Eukaryotes 378 0.25 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA7_HUMAN P08709 Coagulation Factor VII, Human 121 0.27 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 442 0.25 Binding ≤ 1μM
TRY1_BOVIN P00760 Trypsin I, Bovin 378 0.25 Binding ≤ 1μM
FA7_HUMAN P08709 Coagulation Factor VII, Human 121 0.27 Binding ≤ 10μM
FA10_HUMAN P00742 Coagulation Factor X, Human 442 0.25 Binding ≤ 10μM
TRY1_BOVIN P00760 Trypsin I, Bovin 378 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
BMAL1:CLOCK,NPAS2 activates circadian gene expression
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% )