Details of the Drug

General Information of Drug (ID: DMHLBZR)

Drug Name

P-IODOAMPHETAMINE

Synonyms

p-IODOAMPHETAMINE; para-Iodoamphetamine; CHEMBL6368; 21894-72-4; 2-(4-Iodo-phenyl)-1-methyl-ethylamine; 4-iodoamphetamine; 1-(4-iodophenyl)propan-2-amine; AC1L3XGA; (I123)-Iodoamphetamine; SCHEMBL166055; CTK4E7914; 4-Iodo-alpha-methylphenethylamine; VZPKOWYCGWOYRF-UHFFFAOYSA-N; 1-(4-iodophenyl)propane-2-amine; Benzeneethanamine,4-iodo-a-methyl-; BDBM50003582; AKOS009158591; Benzeneethanamine, 4-iodo-alpha-methyl-

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)

261.1

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: C9H12IN
IUPAC Name: 1-(4-iodophenyl)propan-2-amine
Canonical SMILES: CC(CC1=CC=C(C=C1)I)N
InChI: InChI=1S/C9H12IN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey: VZPKOWYCGWOYRF-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 123870
CAS Number: 21894-72-4
TTD ID: D0L8SN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Synthesis and biological activity of N6-(p-sulfophenyl)alkyl and N6-sulfoalkyl derivatives of adenosine: water-soluble and peripherally selective a... J Med Chem. 1992 Oct 30;35(22):4143-9.