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Compound Detail

CHEMBL120499

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CN(C)C(=O)N1Cc2cc(C#N)ccc2N(Cc2c[nH]cn2)C[C@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL120499
Phase Preclinical
Structure Type MOL
InChI Key XZTNIAUKBZXXOI-JOCHJYFZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
3.40
ALogP
4
HBA
1
HBD
79.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26N6O
MW 414.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.04

Activity Summary

IC50 1 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 7.77 7.77 17.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 17.0 nM 7.77 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