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Compound Detail

CHEMBL156530

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

Basic Information

ChEMBL ID CHEMBL156530
Phase Preclinical
Structure Type MOL
InChI Key GXYWBGKTKUECRM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
5.41
ALogP
5
HBA
0
HBD
74.6
PSA (Ų)
0.40
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 C26H18F2N4O
MW 440.45
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.13

Activity Summary

EC50 1 meas. best 7.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 EC50 7.02 7.02 96.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase EC50 = 96.0 nM 7.02 Effective concentration required for inhibition of farnesylation of Ras protein ... 14736242

Literature References

PubMed DOI Target Context # Activities
14736242 10.1021/jm030434f Protein farnesyltransferase 2
14736242 10.1021/jm030434f Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine