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Compound Detail

CHEMBL182925

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COC(=O)c1ccc(COC(c2ccc(C#N)c(-c3ccccc3C)c2)c2cncn2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL182925
Phase Preclinical
Structure Type MOL
InChI Key DFDFVGRXQMTZKO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
5.36
ALogP
6
HBA
0
HBD
77.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25N3O3
MW 451.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.82

Activity Summary

IC50 1 meas. best 8.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 8.21 8.21 6.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 6.1 nM 8.21 Inhibition of Bovine farnesyl transferase 15582430

Literature References

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

Data from ChEMBL 36 via Core Engine