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Compound Detail

CHEMBL183548

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Cn1cncc1C(OCc1ccc(C#N)cc1)c1ccc(C#N)c(-c2ccccc2C(=O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183548
Phase Preclinical
Structure Type MOL
InChI Key QFDVATDDSQALHP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.83
ALogP
6
HBA
1
HBD
111.9
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H20N4O3
MW 448.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 14.0 nM 7.85 Inhibition of Bovine farnesyl transferase 15582430

Literature References

PubMed DOI Target Context # Activities
15582430 10.1016/j.bmcl.2004.10.014 Protein farnesyltransferase 2
15582430 10.1016/j.bmcl.2004.10.014 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine