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Compound Detail

CHEMBL28770

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Cn1cncc1CN(Cc1ccc(C#N)cc1)c1ccc(C#N)c(-c2cccc3ccccc23)c1

Basic Information

ChEMBL ID CHEMBL28770
Phase Preclinical
Structure Type MOL
InChI Key RVXPVQXGMBCWPD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
6.19
ALogP
5
HBA
0
HBD
68.6
PSA (Ų)
0.31
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 C30H23N5
MW 453.55
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.05

Activity Summary

IC50 2 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
IC50 8.82 8.82 1.5 1
Geranylgeranyl transferase type I
CHEMBL2096987
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657284 10.1016/s0960-894x(03)00096-9 Protein farnesyltransferase 1
12657284 10.1016/s0960-894x(03)00096-9 Geranylgeranyl transferase type I 1
12657284 10.1016/s0960-894x(03)00096-9 NIH3T3 1

Data from ChEMBL 36 via Core Engine