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Compound Detail

CHEMBL288523

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

Basic Information

ChEMBL ID CHEMBL288523
Phase Preclinical
Structure Type MOL
InChI Key QXYYIUKVUKRLDO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
5.19
ALogP
6
HBA
0
HBD
87.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18ClN5O
MW 439.91
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

Activity Summary

IC50 2 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 7.92 7.92 12.0 1
Geranylgeranyl transferase type-1 subunit beta
CHEMBL4135
IC50 5.96 5.96 1100.0 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
12699757 10.1016/s0960-894x(03)00195-1 Geranylgeranyl transferase type-1 subunit beta 1

Data from ChEMBL 36 via Core Engine