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Compound Detail

CHEMBL355301

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CCN(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL355301
Phase Preclinical
Structure Type MOL
InChI Key PVWYVGHJHHUPFS-UHFFFAOYSA-N
1
Targets
13
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.82
ALogP
2
HBA
1
HBD
49.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O
MW 369.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.03

Activity Summary

IC50 13 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 7.7 6.9077 20.0 13

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 20.0 nM 7.7 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 43.0 nM 7.37 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 43.0 nM 7.37 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 47.0 nM 7.33 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 54.0 nM 7.27 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 65.0 nM 7.19 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 106.0 nM 6.97 Concentration required for the inhibitory activity against human Farnesyltransfe... 11294379
Protein farnesyltransferase IC50 = 190.0 nM 6.72 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 230.0 nM 6.64 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 230.0 nM 6.64 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 250.0 nM 6.6 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 250.0 nM 6.6 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379
Protein farnesyltransferase IC50 = 4000.0 nM 5.4 Inhibition of FPP incorporation into biotinylated K-Ras-derived peptide by human... 11294379

Literature References

PubMed DOI Target Context # Activities
11294379 10.1016/s0960-894x(01)00061-0 Protein farnesyltransferase 13
11294379 10.1016/s0960-894x(01)00061-0 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine