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Compound Detail

CHEMBL206822

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CC1(c2cccc3ccccc23)NC(=O)N(CCCc2c[nH]cn2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206822
Phase Preclinical
Structure Type MOL
InChI Key UTMZYAWLRIYYGT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.96
ALogP
3
HBA
2
HBD
78.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2
MW 348.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 7.4 7.4 40.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 40.0 nM 7.4 Inhibition of farnesyl transferase 16442288

Literature References

PubMed DOI Target Context # Activities
16442288 10.1016/j.bmcl.2005.12.074 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine