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Compound Detail

CHEMBL4565280

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CCC1CCCN(C)C(=O)[C+]1c1cccc(Oc2cc(C(C)(N)c3cncn3C)ccc2C#N)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565280
Phase Preclinical
Structure Type MOL
InChI Key BILZFSWHUDZYHD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
4.51
ALogP
6
HBA
1
HBD
97.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32N5O2+
MW 470.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.74

Activity Summary

IC50 1 meas. best 10.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 10.22 10.22 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.06 nM 10.22 Inhibition of human recombinant FTase using [3H]FPP as substrate after 15 mins b... 30469042

Literature References

PubMed DOI Target Context # Activities
30469042 10.1016/j.ejmech.2018.11.031 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine