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Compound Detail

CHEMBL290315

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Cn1cncc1C(OCc1ccc(C#N)c(-c2cccc(C#N)c2)n1)c1ccc(C#N)cc1

Basic Information

ChEMBL ID CHEMBL290315
Phase Preclinical
Structure Type MOL
InChI Key UXEWFDNBGAQHTL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.40
ALogP
7
HBA
0
HBD
111.3
PSA (Ų)
0.45
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 C26H18N6O
MW 430.47
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.17 7.17 68.0 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