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Compound Detail

CHEMBL370049

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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C#N)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370049
Phase Preclinical
Structure Type MOL
InChI Key CXXIJFIKGRRAOQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

453.9
MW (Da)
4.83
ALogP
6
HBA
0
HBD
68.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20ClN5O
MW 453.93
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 6.25 6.25 560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 560.0 nM 6.25 Inhibition of bovine farnesyltransferase 15808463

Literature References

PubMed DOI Target Context # Activities
15808463 10.1016/j.bmcl.2005.02.062 Protein farnesyltransferase 2
15808463 10.1016/j.bmcl.2005.02.062 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine