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Compound Detail

CHEMBL341184

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O=C(Cc1ccncc1)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc[n+]([O-])c32)CC1

Basic Information

ChEMBL ID CHEMBL341184
Phase Preclinical
Structure Type MOL
InChI Key YMDVWHNMIAFIIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.9
MW (Da)
4.13
ALogP
3
HBA
0
HBD
60.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24ClN3O2
MW 445.95
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.68 5.68 2100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 2100.0 nM 5.68 Inhibitory activity against recombinant human farnesyltransferase 9406600

Literature References

PubMed DOI Target Context # Activities
9406600 10.1021/jm970291v Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine