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Compound Detail

CHEMBL419048

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CS(=O)(=O)N1Cc2cc(-c3cccnc3)ccc2N(Cc2c[nH]cn2)CC1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL419048
Phase Preclinical
Structure Type MOL
InChI Key RISGGZVWVXRFHC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

473.6
MW (Da)
3.86
ALogP
5
HBA
1
HBD
82.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O2S
MW 473.60
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 8.1 8.1 7.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 7.9 nM 8.1 Inhibition of purified recombinant human farnesyltransferase (FT) 11020273

Literature References

PubMed DOI Target Context # Activities
11020273 10.1021/jm000248z Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine