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Compound Detail

CHEMBL24554

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C#Cc1ccc(C#CC(O)(c2ccc(C#N)c(-c3cccc4ccccc34)c2)c2cncn2C)cc1

Basic Information

ChEMBL ID CHEMBL24554
Phase Preclinical
Structure Type MOL
InChI Key OAEIWTGUZXTPAT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
5.38
ALogP
4
HBA
1
HBD
61.8
PSA (Ų)
0.37
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H21N3O
MW 463.54
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -0.81

Activity Summary

IC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 9.15 9.15 0.7 1
Geranylgeranyl transferase type-1 subunit beta
CHEMBL4135
IC50 7.8 7.8 16.0 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