Details of the Drug

General Information of Drug (ID: DM5DPM4)

Drug Name
Diazacholesterol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 388.6
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C25H44N2O
IUPAC Name
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-5-[amino(methyl)amino]pentan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Canonical SMILES
C[C@H](CCCN(C)N)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C25H44N2O/c1-17(6-5-15-27(4)26)21-9-10-22-20-8-7-18-16-19(28)11-13-24(18,2)23(20)12-14-25(21,22)3/h7,17,19-23,28H,5-6,8-16,26H2,1-4H3/t17-,19+,20+,21-,22+,23+,24+,25-/m1/s1
InChIKey
CAVTXXDDLXAFFB-NMQWMWRVSA-N
Cross-matching ID
PubChem CID
129632053
TTD ID
D06IAT

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Delta(24)-sterol reductase (DHCR24) TTTK0NH DHC24_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Antilipemic drug-induced skin manifestations. Hautarzt. 1995 Feb;46(2):76-80.