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Compound Detail

CHEMBL522591

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CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522591
Phase Preclinical
Structure Type MOL
InChI Key HOXIAHKPNSRXDJ-OLZOCXBDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.8
MW (Da)
0.95
ALogP
3
HBA
2
HBD
75.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20ClN3O2
MW 309.80
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.78

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