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Compound Detail

CHEMBL55527

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N[C@@H](CS)CNc1ccc(-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL55527
Phase Preclinical
Structure Type MOL
InChI Key LTTNTQLMUPSHOL-CQSZACIVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
3.02
ALogP
3
HBA
3
HBD
38.0
PSA (Ų)
0.72
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 C15H18N2S
MW 258.39
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.41

Activity Summary

IC50 2 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.97 5.945 1070.0 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