UCSF

ZINC21989209

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 24 No

Popular Name: trilostane trilostane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 13647-35-3 , 34140-59-5 , [34140-59-5]

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) 2.56 4.2 -11.31 1 4 0 74 329.44 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links 3BHS_MYCTU ChEBI
ALOGPS_SOLUBILITY 5.93e-02 g/l DrugBank-withdrawn
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 99.0% (HPLC) APIChem
Therapy adrenocortical suppressant, antineoplastic, steroid biosynthesis inhibitor SMDC Pharmakon
Indications Cushing’s syndrome KeyOrganics Bioactives
Target Dehydrogenase Selleck Chemicals
Patent Database Links EP1862182; EP1873258; EP1886695; GB2321455; US2001006962; US2003153544; US2004063677; US2007184076; US2007248537 ChEBI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.