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Compound Detail

CHEMBL450956

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COCCNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450956
Phase Preclinical
Structure Type MOL
InChI Key UZOMAOMMOMWWOF-HNNXBMFYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

338.8
MW (Da)
2.03
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23ClN2O3
MW 338.84
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.34

Activity Summary

Kd 1 meas.

Literature References

PubMed DOI Target Context # Activities
19371038 10.1021/jm8011849 Unchecked 2

Data from ChEMBL 36 via Core Engine