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Compound Detail

CHEMBL4454979

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COc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454979
Phase Preclinical
Structure Type MOL
InChI Key FZWQIGWOXSOHLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
5.48
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN4O2
MW 398.89
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C6MD00262E Mitogen-activated protein kinase 14 3

Data from ChEMBL 36 via Core Engine