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Compound Detail

CHEMBL244907

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CCc1nccn1C(c1ccc2c(c1)c(-c1cccc(Cl)c1)nc1nnnn12)c1cncn1C

Basic Information

ChEMBL ID CHEMBL244907
Phase Preclinical
Structure Type MOL
InChI Key QZTKVVWCNAQOLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

469.9
MW (Da)
4.12
ALogP
9
HBA
0
HBD
91.6
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClN9
MW 469.94
Aromatic Rings 6
Heavy Atoms 34
NP-Likeness -1.96

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5.0 nM 8.3 Inhibition of FTase by SPA 17316920

Literature References

PubMed DOI Target Context # Activities
17316920 10.1016/j.ejmech.2006.12.007 Unchecked 1

Data from ChEMBL 36 via Core Engine