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Compound Detail

CHEMBL28659

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Cc1ccccc1-c1cc(N(Cc2ccccc2)Cc2cncn2C)ccc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL28659
Phase Preclinical
Structure Type MOL
InChI Key MEIORMXCPJHTLF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
5.47
ALogP
4
HBA
0
HBD
44.9
PSA (Ų)
0.44
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 C26H24N4
MW 392.51
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.06

Activity Summary

IC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 11.0 nM 7.96 In vitro inhibitory activity against farnesyltransferase (FTase) 12657284

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

Data from ChEMBL 36 via Core Engine