Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL82137

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(CCCO)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82137
Phase Preclinical
Structure Type MOL
InChI Key BJCYOGUTAUOQAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

303.8
MW (Da)
3.03
ALogP
3
HBA
3
HBD
78.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClN3O2
MW 303.75
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.90

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