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Compound Detail

CHEMBL128448

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CCC(C)[C@H](NC[C@@H](N)CS)C(=O)NC(CO)Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128448
Phase Preclinical
Structure Type MOL
InChI Key LQIGMEPVLSMWQX-INXRADFVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
0.97
ALogP
5
HBA
5
HBD
87.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31N3O2S
MW 353.53
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.07

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2095178
 IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 370.0 nM 6.43 In vitro concentration required to reduce Farnesyltransferase catalyzed incorpor... 7562930

Literature References

PubMed DOI Target Context # Activities
7562930 10.1021/jm00020a010 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine