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Compound Detail

CHEMBL432011

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O=C(NCC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1)OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL432011
Phase Preclinical
Structure Type MOL
InChI Key YHYMTUNGNXLYTQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.0
MW (Da)
5.18
ALogP
4
HBA
1
HBD
71.5
PSA (Ų)
0.53
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28ClN3O3
MW 502.01
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 5.07 5.07 8500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein farnesyltransferase IC50 = 8500.0 nM 5.07 Inhibitory activity against protein farnesyltransferase. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(96)00558-6 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine