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Compound Detail

CHEMBL292361

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COC(=O)c1cccc(-c2ccc(NCc3cncn3Cc3ccc(C#N)cc3)cc2-c2ccccc2)c1

Basic Information

ChEMBL ID CHEMBL292361
Phase Preclinical
Structure Type MOL
InChI Key PWGAFSATAZGSFE-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
6.54
ALogP
6
HBA
1
HBD
79.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H26N4O2
MW 498.59
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -1.00

Activity Summary

IC50 2 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.42 6.42 380.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 5.16 5.16 6900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11754590 10.1021/jm0103099 Protein farnesyltransferase 1
11754590 10.1021/jm0103099 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine