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Compound Detail

CHEMBL1209652

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C[n+]1cccc(C(N)=O)c1.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1209652
Phase Preclinical
Structure Type MOL
InChI Key BWVDQVQUNNBTLK-UHFFFAOYSA-N
Parent Compound CHEMBL71733
Active Moiety CHEMBL71733
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

137.2
MW (Da)
-0.39
ALogP
1
HBA
1
HBD
47.0
PSA (Ų)
0.53
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 C7H9ClN2O
MW 172.62
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -0.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
20637607 10.1016/j.bmcl.2010.06.090 High affinity choline transporter 1 1

Data from ChEMBL 36 via Core Engine