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Compound Detail

CHEMBL352600

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O=C(Nc1cccnc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL352600
Phase Preclinical
Structure Type MOL
InChI Key UYAWMLCIDQNGSJ-QHCPKHFHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.9
MW (Da)
4.17
ALogP
4
HBA
1
HBD
61.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24ClN5O
MW 433.94
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 6.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.34 5.74 460.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526562 10.1021/jm970462w Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine