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Compound Detail

CHEMBL360330

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Cn1cncc1CN1CC(N(Cc2ccsc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360330
Phase Preclinical
Structure Type MOL
InChI Key FPEPZFNRGIPRRN-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
3.57
ALogP
8
HBA
0
HBD
95.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N6O2S2
MW 504.64
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.94

Activity Summary

IC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 9.15 9.15 0.7 1
Protein farnesyltransferase
CHEMBL2095197
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.7 nM 9.15 Inhibition of human farnesyltransferase 15780629
Protein farnesyltransferase IC50 = 13.0 nM 7.89 Inhibition of cellular reversion in H-ras transformed Rat-1 cells 15780629

Literature References

PubMed DOI Target Context # Activities
15780629 10.1016/j.bmcl.2005.02.004 Protein farnesyltransferase 3

Data from ChEMBL 36 via Core Engine