UCSF

ZINC00017086

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 13 Yes

Popular Name: DNC003658 DNC003658

Find On: PubMed — Wikipedia — Google

CAS Number: 149732-36-5

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 4.78 -31.11 4 2 1 52 303.148 1 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.48e-02 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FA9-1-E Coagulation Factor IX (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.65 Binding ≤ 10μM
UROK-3-E Urokinase-type Plasminogen Activator (cluster #3 Of 4), Eukaryotic Eukaryotes 79 0.76 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FA9_HUMAN P00740 Coagulation Factor IX, Human 950 0.65 Binding ≤ 1μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 210 0.72 Binding ≤ 1μM
FA9_HUMAN P00740 Coagulation Factor IX, Human 950 0.65 Binding ≤ 10μM
UROK_HUMAN P00749 Urokinase-type Plasminogen Activator, Human 210 0.72 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dissolution of Fibrin Clot
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.