UCSF

ZINC03860956

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 25 No

Popular Name: CORTEXOLONE CORTEXOLONE

Find On: PubMed — Wikipedia — Google

CAS Number: 152-58-9

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) 2.53 5.26 -12.98 2 4 0 75 346.467 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
mechanism ACTH antagonist IBScreen Bioactives
mechanism ACTH secretion inhibitor IBScreen Bioactives
biological_use Antiinflammatory drug IBScreen Bioactives IBScreen Bioactives
mechanism Calcium mobilizer IBScreen Bioactives
biological_source Found in the blood and urine of humans and other mammals ZereneX Building Blocks
mechanism Glucocorticoid IBScreen Bioactives IBScreen Bioactives
mechanism Gluconeogenesis promoter IBScreen Bioactives
mechanism Glycogen deposition inhibitor IBScreen Bioactives
biological_use Immunosuppressive IBScreen Bioactives
mechanism Phosphorus mobilizer IBScreen Bioactives
Reactome Database Links REACT_10037; REACT_10093; REACT_9996 ChEBI
Patent Database Links WO2007103162 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 10000 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3981.07171 0.30 Functional ≤ 10μM

Direct Reactome Annotations (via ChEBI)

Description Species
Endogenous sterols
Glucocorticoid biosynthesis

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