Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL352930

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCC(CC(=O)N2CCN(C3c4ccc(Cl)cc4CCc4cccnc43)CC2)CC1

Basic Information

ChEMBL ID CHEMBL352930
Phase Preclinical
Structure Type MOL
InChI Key FOIATOGDCIIDMZ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
5
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.0
MW (Da)
3.80
ALogP
4
HBA
0
HBD
39.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H33ClN4O
MW 453.03
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.03 5.94 930.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 4100.0 ng.hr.mL-1 Mus musculus
AUC 1300.0 ng.hr.mL-1 Mus musculus
Cmax 1400.0 nM Mus musculus
F 32.0 % Mus musculus
T1/2 1.0 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9526562 10.1021/jm970462w Mus musculus 5
9526562 10.1021/jm970462w Protein farnesyltransferase 2
9526562 10.1021/jm970462w ADMET 1

Data from ChEMBL 36 via Core Engine