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Compound Detail

CHEMBL132564

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Clc1sccc1CO[C@@H]1c2c(ccc3c2CCCC3)S[C@@H]1Cn1ccnc1

Basic Information

ChEMBL ID CHEMBL132564
Phase Preclinical
Structure Type MOL
InChI Key YDIMTSKBEXCNQL-QUCCMNQESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.0
MW (Da)
5.91
ALogP
5
HBA
0
HBD
27.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2OS2
MW 417.00
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.82

Activity Summary

IC50 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.7 6.7 200.0 1
Geranylgeranyl transferase type I
CHEMBL2095164
IC50 4.78 4.78 16800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9406600 10.1021/jm970291v Protein farnesyltransferase 2
9406600 10.1021/jm970291v Geranylgeranyl transferase type I 1
9406600 10.1021/jm970291v Protein farnesyl/geranylgeranyl transferase 1

Data from ChEMBL 36 via Core Engine