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]
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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

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]

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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)