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Compound Detail

CHEMBL537234

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CN1CC=C(c2ccc(O)cc2)CC1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL537234
Phase Preclinical
Structure Type MOL
InChI Key OHCRAGTYMMZCBS-UHFFFAOYSA-N
Parent Compound CHEMBL108967
Active Moiety CHEMBL108967
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

189.3
MW (Da)
2.11
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16ClNO
MW 225.72
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.36

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
18220329 10.1021/jm070875p Synaptic vesicular amine transporter 2

Data from ChEMBL 36 via Core Engine