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

CHEMBL279066

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
COc1ccc(Oc2cc(Cn3ccnc3)ccc2C#N)cc1

Basic Information

ChEMBL ID CHEMBL279066
Phase Preclinical
Structure Type MOL
InChI Key QBCDCFPXBYGDJF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
3.60
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O2
MW 305.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.49

Activity Summary

IC50 2 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.54 6.54 290.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 5.46 5.46 3500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11392531 10.1016/s0960-894x(01)00162-7 Protein farnesyltransferase 1
11392531 10.1016/s0960-894x(01)00162-7 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine