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Compound Detail

CHEMBL243659

(S)-TIPIFARNIB
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Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243659
Name (S)-TIPIFARNIB
Phase Preclinical
Structure Type MOL
InChI Key PLHJCIYEEKOWNM-MHZLTWQESA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

489.4
MW (Da)
5.50
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H22Cl2N4O
MW 489.41
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -0.73

Activity Summary

EC50 1 meas. best 8.74
IC50 1 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.05 9.05 0.9 1
Unchecked
CHEMBL612545
 EC50 8.74 8.74 1.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.9 nM 9.05 Inhibition of FTase by SPA 17316920
Unchecked EC50 = 1.8 nM 8.74 Inhibition of FTase 20925433

Literature References

PubMed DOI Target Context # Activities
17316920 10.1016/j.ejmech.2006.12.007 Unchecked 1
19239254 10.1021/jm801313t Sterol 14-alpha demethylase 1
19239254 10.1021/jm801313t Lanosterol 14-alpha demethylase 1
20925433 10.1021/jm100189a Unchecked 1

Data from ChEMBL 36 via Core Engine