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Compound Detail

CHEMBL311306

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O=C(Nc1cc(Cl)cc2c1[nH]c1cnccc12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311306
Phase Preclinical
Structure Type MOL
InChI Key KNVZFYPJWMZUTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
3.23
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN4O2
MW 330.78
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.46

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