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Compound Detail

CHEMBL24159

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Cn1cncc1C(O)(C#Cc1ccc(C#N)cc1)c1ccc(C#N)c(-c2cccc3cccnc23)c1

Basic Information

ChEMBL ID CHEMBL24159
Phase Preclinical
Structure Type MOL
InChI Key OCGBVMDVBLYKEO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
4.67
ALogP
6
HBA
1
HBD
98.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H19N5O
MW 465.52
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 9.0 9.0 1.0 1
Geranylgeranyl transferase type-1 subunit beta
CHEMBL4135
IC50 4.08 4.08 83000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657267 10.1016/s0960-894x(03)00122-7 Protein farnesyltransferase 2
12657267 10.1016/s0960-894x(03)00122-7 Geranylgeranyl transferase type-1 subunit beta 1
12657267 10.1016/s0960-894x(03)00122-7 Protein farnesyl/geranylgeranyl transferase 1

Data from ChEMBL 36 via Core Engine