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Compound Detail

CHEMBL292164

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Cc1cccc(-c2ccc(NC[C@@H](N)CS)cc2)c1

Basic Information

ChEMBL ID CHEMBL292164
Phase Preclinical
Structure Type MOL
InChI Key NLKGJZMAJPDFMS-OAHLLOKOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.33
ALogP
3
HBA
3
HBD
38.0
PSA (Ų)
0.73
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 C16H20N2S
MW 272.42
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.75

Activity Summary

IC50 2 meas. best 6.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.15 6.13 710.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8568811 10.1021/jm950414g Protein farnesyltransferase 1
8568811 10.1021/jm950414g Geranylgeranyl transferase type I 1
11754590 10.1021/jm0103099 Protein farnesyltransferase 1
11754590 10.1021/jm0103099 Geranylgeranyl transferase type I 1

Data from ChEMBL 36 via Core Engine