General Information of Drug (ID: DM1ONBT)

Drug Name
4,4'-dihydroxyoctafluoroazobenzene
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 358.14
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 12
Chemical Identifiers
Formula
C12H2F8N2O2
IUPAC Name
2,3,5,6-tetrafluoro-4-[(2,3,5,6-tetrafluoro-4-hydroxyphenyl)diazenyl]phenol
Canonical SMILES
C1(=C(C(=C(C(=C1F)F)O)F)F)N=NC2=C(C(=C(C(=C2F)F)O)F)F
InChI
InChI=1S/C12H2F8N2O2/c13-1-5(17)11(23)6(18)2(14)9(1)21-22-10-3(15)7(19)12(24)8(20)4(10)16/h23-24H
InChIKey
OLAUREFYJFRAJD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
136186019
TTD ID
D0VR9L

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Steroid 5-alpha-reductase 1 (SRD5A1) TTTU72V S5A1_HUMAN Inhibitor [1]
Steroid 5-alpha-reductase 2 (SRD5A2) TTT02K8 S5A2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Hydroxyperfluoroazobenzenes: novel inhibitors of enzymes of androgen biosynthesis. J Med Chem. 1990 Sep;33(9):2452-5.