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

CHEMBL274122

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
CSCC[C@H](NC(=O)c1ccc(COc2cccnc2)cc1-c1ccccc1C)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL274122
Phase Preclinical
Structure Type MOL
InChI Key OKLOPBKXGZVBCB-QHCPKHFHSA-N
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
4.57
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N2O4S
MW 450.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.89

Activity Summary

IC50 6 meas. best 9.4
EC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 9.4 9.4 0.4 3
Protein farnesyltransferase
CHEMBL2095178
 IC50 9.4 9.4 0.4 2
Farnesyltransferase
CHEMBL2111393
 IC50 9.4 9.4 0.4 1
NIH3T3
CHEMBL614822
 EC50 6.46 6.46 350.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.4 nM 9.4 In vitro inhibition of farnesyltransferase from bovine brain 9784104
Protein farnesyltransferase IC50 = 0.4 nM 9.4 Inhibitory activity against farnesyltransferase (FT) using SPA assay 10201832
Farnesyltransferase IC50 = 0.4 nM 9.4 Inhibitory activity against yeast farnesyltransferase 11543680
Protein farnesyltransferase IC50 = 0.4 nM 9.4 In vitro inhibition of farnesyltransferase purified from bovine brain using scin... 10479301
Protein farnesyltransferase IC50 = 0.4 nM 9.4 In vitro inhibitory activity was evaluated against farnesyltransferase (FTase) 10328287
Protein farnesyltransferase IC50 = 0.4 nM 9.4 Inhibition of human recombinant FTase using [3H]farnesyldiphosphate 25530833
NIH3T3 EC50 = 350.0 nM 6.46 Inhibition of Ha-Ras processing in NIH3T3 Ras transformed cells. 9784104
NIH3T3 EC50 = 350.0 nM 6.46 Inhibition of H-ras processing in subconfluent H-Ras-transformed NIH3T3 cells 10201832

Literature References

PubMed DOI Target Context # Activities
9784104 10.1021/jm980298s Protein farnesyltransferase 1
9784104 10.1021/jm980298s NIH3T3 1
10201832 10.1016/s0960-894x(99)00080-3 Protein farnesyltransferase 1
10201832 10.1016/s0960-894x(99)00080-3 NIH3T3 1
11543680 10.1021/jm010873j Farnesyltransferase 1
10479301 10.1021/jm9901935 Protein farnesyltransferase 1
10479301 10.1021/jm9901935 NIH3T3 1
10328287 10.1016/s0960-894x(99)00144-4 Protein farnesyltransferase 1
25530833 10.1039/c2md20299a Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine