Structure

InChI Key SDOOGTHIDFZUNM-UHFFFAOYSA-N
Smile CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(N(C)C)cc2)CCCC1.Cl
InChI
InChI=1S/C27H39N3O.ClH/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6;/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H40ClN3O
Molecular Weight 458.09
AlogP 6.63
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 44.37
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme
- 52 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cushing Syndrome 2 D003480 ClinicalTrials
Adrenal Hyperplasia, Congenital 2 D000312 ClinicalTrials
Adrenal Cortex Neoplasms 1 D000306 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL542103
EPA CompTox DTXSID10158389
FDA SRS TK694ZFS57
PubChem 131678
SureChEMBL SCHEMBL5973583