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Compound Detail

CHEMBL38802

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CN1CCN(c2nc(COC(c3ccc(C#N)cc3)c3cncn3C)ccc2C#N)CC1

Basic Information

ChEMBL ID CHEMBL38802
Phase Preclinical
Structure Type MOL
InChI Key BZPUIQDRTMTNME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
2.62
ALogP
8
HBA
0
HBD
94.0
PSA (Ų)
0.60
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 C24H25N7O
MW 427.51
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.33

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12699757 10.1016/s0960-894x(03)00195-1 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine