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Compound Detail

CHEMBL369304

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Cc1ccccc1-c1cc(C(OCc2ccc(Cl)c(Cl)c2)c2cncn2C)ccc1C#N

Basic Information

ChEMBL ID CHEMBL369304
Phase Preclinical
Structure Type MOL
InChI Key IIADLWLENXLWKJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

462.4
MW (Da)
6.88
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.31
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 C26H21Cl2N3O
MW 462.38
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.09

Activity Summary

IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.57 7.57 27.0 1
Unchecked
CHEMBL612545
IC50 7.56 7.56 27.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 27.0 nM 7.57 Inhibition of Bovine farnesyl transferase 15582430
Unchecked IC50 = 27.54 nM 7.56 Inhibition of farnesyltransferase 17448576

Literature References

PubMed DOI Target Context # Activities
15582430 10.1016/j.bmcl.2004.10.014 Protein farnesyltransferase 1
17448576 10.1016/j.ejmech.2007.02.003 Unchecked 1

Data from ChEMBL 36 via Core Engine