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Compound Detail

CHEMBL523987

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COCCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523987
Phase Preclinical
Structure Type MOL
InChI Key TUYVVCADIGOSSV-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
2.96
ALogP
3
HBA
1
HBD
58.6
PSA (Ų)
0.72
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 C23H28N2O3
MW 380.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.97

Literature References

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

Data from ChEMBL 36 via Core Engine