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Compound Detail

CHEMBL80793

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Clc1cc(NCc2ccccc2)c2[nH]c3cnccc3c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL80793
Phase Preclinical
Structure Type MOL
InChI Key KGBIDBSDQRROJU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

307.8
MW (Da)
4.98
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.56
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 C18H14ClN3
MW 307.78
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -0.80

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