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Compound Detail

CHEMBL93335

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O=S(=O)(c1cccc(N(Cc2c[nH]cn2)Cc2c[nH]cn2)c1)N1CCCc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93335
Phase Preclinical
Structure Type MOL
InChI Key ISXBYWANZZPSKD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.6
MW (Da)
3.48
ALogP
5
HBA
2
HBD
98.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O2S
MW 448.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 130.0 nM 6.89 Inhibition of Farnesyltransferase 10698452

Literature References

PubMed DOI Target Context # Activities
10698452 10.1016/s0960-894x(99)00686-1 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine