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Compound Detail

CHEMBL491296

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

Basic Information

ChEMBL ID CHEMBL491296
Phase Preclinical
Structure Type MOL
InChI Key UJIAWQZSMKUMKD-FQEVSTJZSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
2.05
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26N2O4
MW 394.47
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.61

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