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Compound Detail

CHEMBL6368

p-IODOAMPHETAMINE
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CC(N)Cc1ccc(I)cc1

Basic Information

ChEMBL ID CHEMBL6368
Name p-IODOAMPHETAMINE
Phase Preclinical
Structure Type MOL
InChI Key VZPKOWYCGWOYRF-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

261.1
MW (Da)
2.18
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H12IN
MW 261.11
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -0.71

Activity Summary

IC50 3 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Sodium-dependent serotonin transporter
CHEMBL313
IC50 7.09 7.09 82.0 1
Rattus norvegicus
CHEMBL376
IC50 6.23 6.23 589.0 1
Norepinephrine transporter
CHEMBL304
IC50 6.0 6.0 993.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526575 10.1021/jm9705925 Unchecked 2
9526575 10.1021/jm9705925 Sodium-dependent serotonin transporter 1
9526575 10.1021/jm9705925 Rattus norvegicus 1
9526575 10.1021/jm9705925 Norepinephrine transporter 1

Data from ChEMBL 36 via Core Engine