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Compound Detail

CHEMBL1796648

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N#Cc1ccc(Cn2cncc2CNC2CCN(Cc3ccccc3Cl)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL1796648
Phase Preclinical
Structure Type MOL
InChI Key CZURMACSQFAGFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.9
MW (Da)
3.35
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN5O
MW 419.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 8.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.28 8.28 5.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5.248 nM 8.28 Inhibition of farnesyltransferase 17448576

Literature References

PubMed DOI Target Context # Activities
17448576 10.1016/j.ejmech.2007.02.003 Unchecked 1

Data from ChEMBL 36 via Core Engine