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]
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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
CAS Number: 64-12-0
TTD ID: D06CMJ

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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.