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Compound Detail

CHEMBL347961

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O=C(Cc1ccccc1Oc1ccccc1)N1CCN(Cc2c[nH]cn2)c2ccccc2C1

Basic Information

ChEMBL ID CHEMBL347961
Phase Preclinical
Structure Type MOL
InChI Key XATUCUFFSFYWEE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.79
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O2
MW 438.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.08

Activity Summary

IC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10602709 10.1021/jm990391w Protein farnesyltransferase 1

Data from ChEMBL 36 via Core Engine