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Compound Detail

CHEMBL86103

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O=C(Cc1ccncc1)N1CCN(C2c3ccc(Cl)cc3S(=O)(=O)Cc3cccnc32)CC1

Basic Information

ChEMBL ID CHEMBL86103
Phase Preclinical
Structure Type MOL
InChI Key XOJPKPAUUVFYNE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
2.89
ALogP
6
HBA
0
HBD
83.5
PSA (Ų)
0.57
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 C24H23ClN4O3S
MW 482.99
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.17

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

Literature References

PubMed DOI Target Context # Activities
9873573 10.1016/s0960-894x(98)00439-9 Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine