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Compound Detail

CHEMBL593147

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CCN(CC)CC(=O)Nc1ccc(C(O)(C(N)=O)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593147
Phase Preclinical
Structure Type MOL
InChI Key LBJLIZNCKJBMRM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
1.69
ALogP
4
HBA
3
HBD
95.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N3O3
MW 355.44
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.28

Literature References

PubMed DOI Target Context # Activities
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2

Data from ChEMBL 36 via Core Engine