Details of the Drug

General Information of Drug (ID: DMINF80)

Drug Name
AS-601811
Synonyms 4,8-Dimethyl-2,3,5,6-tetrahydro-1H-benzo[c]quinolizin-3-one
Indication
Disease Entry ICD 11 Status REF
Acne vulgaris ED80 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 227.3
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H17NO
IUPAC Name
4,8-dimethyl-1,2,5,6-tetrahydrobenzo[f]quinolizin-3-one
Canonical SMILES
CC1=CC2=C(C=C1)N3CCC(=O)C(=C3CC2)C
InChI
InChI=1S/C15H17NO/c1-10-3-5-14-12(9-10)4-6-13-11(2)15(17)7-8-16(13)14/h3,5,9H,4,6-8H2,1-2H3
InChIKey
SNEPAAKJPPNOQM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10220187
ChEBI ID
CHEMBL118319
CAS Number
194979-95-8
TTD ID
D0P9EL
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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 [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 800013228)
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013228)