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Compound Detail

CHEMBL379900

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CSc1ccc(CN2C(=O)N(CCCn3ccnc3)C(=O)C2(C)c2cccc3ccccc23)cc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379900
Phase Preclinical
Structure Type MOL
InChI Key OMQYMCBJBYJVGL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

509.6
MW (Da)
5.40
ALogP
6
HBA
0
HBD
82.2
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27N5O2S
MW 509.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 10.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 10.1 10.1 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 0.08 nM 10.1 Inhibition of farnesyl transferase 16442288

Literature References

PubMed DOI Target Context # Activities
16442288 10.1016/j.bmcl.2005.12.074 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine