UCSF

ZINC19479622

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 17 Yes

Popular Name: 3-(phenoxymethyl)benzene-1-carboximidamide hydrochloride 3-(phenoxymethyl)benzene-1-carbo…

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CAS Number: 57928-74-2

Other Names:

MFCD13196254

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) 1.95 5.61 -36.38 4 3 1 61 227.287 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 140 - 142 Enamine Building Blocks
MP 140...142 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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 7 0.67 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.67 Binding ≤ 1μM
FA10_HUMAN P00742 Coagulation Factor X, Human 6.8 0.67 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% )