Details of the Drug

General Information of Drug (ID: DMOH75D)

Drug Name
Para-chloroamphetamine
Synonyms
p-CHLOROAMPHETAMINE; para-Chloroamphetamine; p-Chloramphetamine; 1-(4-chlorophenyl)propan-2-amine; 4-Chloramphetamine; 4-Chloroamphetamine; 64-12-0; Para Chloroamphetamine; DL-Chloramphetamine; (+-)-p-Chloramphetamine; C9H12ClN; (+-)-p-Chloroamphetamine; p-Chloroamphetamine (VAN); (+-)-4-Chloroamphetamine; NSC 287208; DL-p-Chloroamphetamine; LY-121860; alpha-Methyl-p-chlorophenethylamine; 4-Chloro-alpha-methylphenethylamine; Benzeneethanamine, 4-chloro-alpha-methyl-; (+-)-p-Chloro-alpha-methylphenethylamine; CHEMBL358967
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 169.65
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C9H12ClN
IUPAC Name
1-(4-chlorophenyl)propan-2-amine
Canonical SMILES
CC(CC1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C9H12ClN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey
WWPITPSIWMXDPE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3127
ChEBI ID
CHEMBL358967
CAS Number
64-12-0
TTD ID
D06CMJ
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine transporter (DAT) TTVBI8W SC6A3_HUMAN Inhibitor [2]
Norepinephrine transporter (NET) TTAWNKZ SC6A2_HUMAN Inhibitor [2]
Serotonin transporter (SERT) TT3ROYC SC6A4_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine transporter (DAT) DTT SLC6A3 1.08E-03 -3.08 -1.99
Serotonin transporter (SERT) DTT SLC6A4 8.76E-01 7.18E-05 6.19E-04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4592).
2 Synthesis and serotonin transporter activity of sulphur-substituted alpha-alkyl phenethylamines as a new class of anticancer agents. Eur J Med Chem. 2009 Dec;44(12):4862-88.