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Compound Detail

CHEMBL26720

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CC(C)C[C@H](NC(=O)c1cc(NCc2ccncc2)ccc1-c1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL26720
Phase Preclinical
Structure Type MOL
InChI Key FTCZIJXHWDHTQT-QHCPKHFHSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
4.59
ALogP
4
HBA
3
HBD
91.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27N3O3
MW 417.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 6.4 6.4 400.0 1
Protein farnesyltransferase
CHEMBL2094108
IC50 4.3 4.3 50000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10212118 10.1021/jm9900873 Protein farnesyltransferase 2
10212118 10.1021/jm9900873 Geranylgeranyl transferase type I 1
10212118 10.1021/jm9900873 Unchecked 1
10212118 10.1021/jm9900873 Protein farnesyl/geranylgeranyl transferase 1

Data from ChEMBL 36 via Core Engine