Details of the Drug

General Information of Drug (ID: DMQG4L2)

Drug Name

S-(-)-enantiomer of 3-(3-hydroxyphenyl)-N-n-propylpiperidine (3-PPP)

Synonyms

AC1MT1CM; S-(10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-methylpentanethioate

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

500.9

Logarithm of the Partition Coefficient (xlogp)

12

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C33H56OS
IUPAC Name: S-(10,13-dimethyl-17-octyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) 3-methylpentanethioate
Canonical SMILES: CCCCCCCCC1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SC(=O)CC(C)CC)C)C
InChI: InChI=1S/C33H56OS/c1-6-8-9-10-11-12-13-25-15-17-29-28-16-14-26-23-27(35-31(34)22-24(3)7-2)18-20-33(26,5)30(28)19-21-32(25,29)4/h14,24-25,27-30H,6-13,15-23H2,1-5H3
InChIKey: LQEPAKNLJUMKSY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Ocular hypotension induced by topical dopaminergic drugs and phosphodiesterase inhibitors. Eur J Pharmacol. 1994 Jun 2;258(1-2):85-94.