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Compound Detail

CHEMBL282368

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Cc1ccccc1-c1cc(N(Cc2ccccc2)Cc2c[nH]cn2)ccc1C#N

Basic Information

ChEMBL ID CHEMBL282368
Phase Preclinical
Structure Type MOL
InChI Key FQZKZXLGKXKOQT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
5.46
ALogP
3
HBA
1
HBD
55.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N4
MW 378.48
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.00

Activity Summary

IC50 1 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.08 7.08 84.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 84.0 nM 7.08 In vitro inhibitory activity against farnesyltransferase (FTase) 12657284

Literature References

PubMed DOI Target Context # Activities
12657284 10.1016/s0960-894x(03)00096-9 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine