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Compound Detail

CHEMBL349270

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N#CCCNC(=O)c1ccc(NCc2cncn2Cc2ccc(C#N)cc2)cc1-c1ccccc1

Basic Information

ChEMBL ID CHEMBL349270
Phase Preclinical
Structure Type MOL
InChI Key QCIVONWRSKAXKG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.73
ALogP
6
HBA
2
HBD
106.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N6O
MW 460.54
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.47

Activity Summary

IC50 2 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein farnesyltransferase
CHEMBL2094108
IC50 6.66 6.66 220.0 1
Protein farnesyltransferase
CHEMBL2096912
IC50 4.7 4.7 20000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11277514 10.1016/s0960-894x(01)00055-5 Plasmodium falciparum 2
11277514 10.1016/s0960-894x(01)00055-5 Protein farnesyltransferase 2

Data from ChEMBL 36 via Core Engine