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Compound Detail

CHEMBL344691

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Nc1cnc2c(c1)CCc1cc(Cl)ccc1C2=C1CCN(C(=O)Cc2ccncc2)CC1

Basic Information

ChEMBL ID CHEMBL344691
Phase Preclinical
Structure Type MOL
InChI Key LBZMNIFAENXMMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

445.0
MW (Da)
4.48
ALogP
4
HBA
1
HBD
72.1
PSA (Ų)
0.63
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 C26H25ClN4O
MW 444.97
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 1000.0 nM 6.0 Compound was tested for the inhibition of Farnesyltransferase 9435898

Literature References

PubMed DOI Target Context # Activities
9435898 10.1021/jm970464g Protein farnesyltransferase 1
9435898 10.1021/jm970464g COS-1 1

Data from ChEMBL 36 via Core Engine