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Compound Detail

CHEMBL490948

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CNC(=O)[C@@H]1CCCN1C(=O)CC1(O)c2ccccc2-c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490948
Phase Preclinical
Structure Type MOL
InChI Key VOLIWBOPCDCNTG-SFHVURJKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.03
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O3
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.40

Literature References

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

Data from ChEMBL 36 via Core Engine