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Compound Detail

CHEMBL312648

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COc1ccccc1C(=O)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312648
Phase Preclinical
Structure Type MOL
InChI Key VYSPYGUJGJUUHF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

351.8
MW (Da)
4.58
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.57
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 C19H14ClN3O2
MW 351.79
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
12824047 10.1016/s0960-894x(03)00408-6 Inhibitor of nuclear factor kappa-B kinase subunit alpha 1
12824047 10.1016/s0960-894x(03)00408-6 Casein kinase II 1
12824047 10.1016/s0960-894x(03)00408-6 cAMP-dependent protein kinase (PKA) 1
12824047 10.1016/s0960-894x(03)00408-6 Protein kinase C (PKC) 1

Data from ChEMBL 36 via Core Engine