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Compound Detail

CHEMBL433873

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CC(C)NC(=O)c1ccc(NCc2cncn2Cc2ccc(C#N)cc2)cc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL433873
Phase Preclinical
Structure Type MOL
InChI Key CUAAFASTKMCRBA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
5.22
ALogP
5
HBA
2
HBD
82.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O
MW 449.56
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.45

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 380.0 nM 6.42 Inhibition of mammalian Farnesyltransferase 11277514

Literature References

PubMed DOI Target Context # Activities
11277514 10.1016/s0960-894x(01)00055-5 Plasmodium falciparum 2
11277514 10.1016/s0960-894x(01)00055-5 Protein farnesyltransferase 2
14711313 10.1021/jm030236o Protein farnesyltransferase 1
14711313 10.1021/jm030236o Trypanosoma brucei brucei 1
14711313 10.1021/jm030236o Trypanosoma brucei rhodesiense 1
14711313 10.1021/jm030236o NIH3T3 1

Data from ChEMBL 36 via Core Engine