Details of the Drug

General Information of Drug (ID: DMDY38R)

Drug Name
Org-33201
Synonyms 148714-92-5
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 377
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 5
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C21H29ClN2S
IUPAC Name
1-[[(2S,3aR)-3a-ethyl-9-ethylsulfanyl-1,2,3,4,5,6-hexahydrophenalen-2-yl]methyl]imidazole;hydrochloride
Canonical SMILES
CC[C@]12CCCC3=C1C(=C(C=C3)SCC)C[C@H](C2)CN4C=CN=C4.Cl
InChI
InChI=1S/C21H28N2S.ClH/c1-3-21-9-5-6-17-7-8-19(24-4-2)18(20(17)21)12-16(13-21)14-23-11-10-22-15-23;/h7-8,10-11,15-16H,3-6,9,12-14H2,1-2H3;1H/t16-,21-;/m1./s1
InChIKey
CQCWQGXXUFLLAL-KTWHHOSASA-N
Cross-matching ID
PubChem CID
196932
CAS Number
148714-92-5
TTD ID
D0Y1EX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Aromatase (CYP19A1) TTSZLWK CP19A_HUMAN Modulator [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Org 33201: a new highly selective orally active aromatase inhibitor. J Steroid Biochem Mol Biol. 1993 Mar;44(4-6):681-2.