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Compound Detail

CHEMBL430296

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COC(=O)[C@H](CCSC)NC(=O)c1ccc(COCc2ccc(Br)o2)cc1-c1ccccc1C

Basic Information

ChEMBL ID CHEMBL430296
Phase Preclinical
Structure Type MOL
InChI Key GPHWYYSELXGMGI-QHCPKHFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

546.5
MW (Da)
5.76
ALogP
6
HBA
1
HBD
77.8
PSA (Ų)
0.31
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28BrNO5S
MW 546.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.95

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10328287 10.1016/s0960-894x(99)00144-4 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine