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Compound Detail

CHEMBL319852

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Cc1cc(C(C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL319852
Phase Preclinical
Structure Type MOL
InChI Key LFOATKGEHBUQMH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

523.5
MW (Da)
8.51
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.36
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H32Cl2N2O2
MW 523.50
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
9685233 10.1021/jm9803572 KinA/Spo0F (sporulation kinase A/sporulation initiation phosphotransferase F) 1

Data from ChEMBL 36 via Core Engine