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

CHEMBL511830

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
Cc1cc(Oc2ccccc2)ccc1NC(=O)Nc1cc(C(C)(C)C)on1

Basic Information

ChEMBL ID CHEMBL511830
Phase Preclinical
Structure Type MOL
InChI Key QHMJBZWTRPHKAG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.4
MW (Da)
5.72
ALogP
4
HBA
2
HBD
76.4
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N3O3
MW 365.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RAF proto-oncogene serine/threonine-protein kinase IC50 = 1400.0 nM 5.85 Inhibition of Raf-1 18947905

Literature References

PubMed DOI Target Context # Activities
18947905 10.1016/j.ejmech.2008.09.016 RAF proto-oncogene serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine