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Compound Detail

CHEMBL27141

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N[C@@H](CS)CN1CCN(C(=O)c2cccc3ccccc23)C[C@@H]1CCOC1CC1

Basic Information

ChEMBL ID CHEMBL27141
Phase Preclinical
Structure Type MOL
InChI Key GYHJYVOLUAYUGE-MOPGFXCFSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

413.6
MW (Da)
2.79
ALogP
5
HBA
2
HBD
58.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H31N3O2S
MW 413.59
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.76

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 9.0 9.0 1.0 1
Protein farnesyltransferase
CHEMBL2095197
IC50 6.3 6.3 500.0 1
Unchecked
CHEMBL612545
IC50 5.41 5.41 3900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8691462 10.1021/jm9508090 Protein farnesyltransferase 2
8691462 10.1021/jm9508090 Unchecked 2
8691462 10.1021/jm9508090 Rat1 1

Data from ChEMBL 36 via Core Engine