UCSF

ZINC00602032

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 Yes

Popular Name: CP-320626 CP-320626

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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) 2.58 -4.39 -13.98 3 6 0 85 443.906 5 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 2.23e-02 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP51A-1-E Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.24 Binding ≤ 10μM
PYGL-1-E Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic Eukaryotes 920 0.27 Binding ≤ 10μM
PYGM-2-E Muscle Glycogen Phosphorylase (cluster #2 Of 4), Eukaryotic Eukaryotes 500 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 205 0.30 Binding ≤ 1μM
PYGM_HUMAN P11217 Muscle Glycogen Phosphorylase, Human 500 0.28 Binding ≤ 1μM
CP51A_HUMAN Q16850 Cytochrome P450 51, Human 4000 0.24 Binding ≤ 10μM
PYGL_HUMAN P06737 Liver Glycogen Phosphorylase, Human 205 0.30 Binding ≤ 10μM
PYGM_HUMAN P11217 Muscle Glycogen Phosphorylase, Human 500 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis
Endogenous sterols
Glycogen breakdown (glycogenolysis)

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