Details of the Drug

General Information of Drug (ID: DM3OUT0)

Drug Name
Etarotene
Synonyms Ro-15-1570; Ro-15-1570/000
Indication
Disease Entry ICD 11 Status REF
Psoriasis vulgaris EA90 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 396.6
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C25H32O2S
IUPAC Name
6-[(E)-1-(4-ethylsulfonylphenyl)prop-1-en-2-yl]-1,1,4,4-tetramethyl-2,3-dihydronaphthalene
Canonical SMILES
CCS(=O)(=O)C1=CC=C(C=C1)/C=C(\\C)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI
InChI=1S/C25H32O2S/c1-7-28(26,27)21-11-8-19(9-12-21)16-18(2)20-10-13-22-23(17-20)25(5,6)15-14-24(22,3)4/h8-13,16-17H,7,14-15H2,1-6H3/b18-16+
InChIKey
UDAZCXVIYSIEFX-FBMGVBCBSA-N
Cross-matching ID
PubChem CID
6435463
CAS Number
87719-32-2
TTD ID
D0FQ6O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ribonuclease P protein (RPP) TT4PTJ7 RPP14_HUMAN ; RPP21_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003576)
2 Retinoids inhibit human epidermal keratinocyte RNase P activity. Biol Chem. 2003 Mar;384(3):457-62.