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Compound Detail

CHEMBL72126

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N[C@@H](CS)CNc1ccc(-c2ccc(C(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL72126
Phase Preclinical
Structure Type MOL
InChI Key SFLNPNDXGQBNLC-CQSZACIVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.72
ALogP
4
HBA
4
HBD
75.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O2S
MW 302.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.27

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 5.34 5.34 4575.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 4575.0 nM 5.34 In vitro inhibition of Farnesyltransferase 8568811

Literature References

PubMed DOI Target Context # Activities
8568811 10.1021/jm950414g Protein farnesyltransferase 1
8568811 10.1021/jm950414g Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine