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Compound Detail

CHEMBL233742

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COCCCN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cn(C)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL233742
Phase Preclinical
Structure Type MOL
InChI Key MTCBWDAIIYFYNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.6
MW (Da)
1.68
ALogP
9
HBA
0
HBD
109.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29N7O3S
MW 483.60
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 8.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 8.12 8.12 7.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 7.5 nM 8.12 Inhibition of protein farnesyltransferase 17722901

Literature References

PubMed DOI Target Context # Activities
17722901 10.1021/jm0703340 Unchecked 3
17722901 10.1021/jm0703340 Plasmodium falciparum 2
17722901 10.1021/jm0703340 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine