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Compound Detail

CHEMBL154185

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CNc1nc(Cl)nc2c1ncn2CC(COC(=O)c1ccccc1)COC(=O)c1ccccc1

Basic Information

ChEMBL ID CHEMBL154185
Phase Preclinical
Structure Type MOL
InChI Key LQEIXZRJHZGXJB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

479.9
MW (Da)
3.85
ALogP
9
HBA
1
HBD
108.2
PSA (Ų)
0.28
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 C24H22ClN5O4
MW 479.92
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.44

Activity Summary

Ki 1 meas. best 5.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 5.29 5.29 5100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 5100.0 nM 5.29 Inhibition of ADP-induced activation of rat platelets using aggregometry 12477353

Literature References

PubMed DOI Target Context # Activities
12477353 10.1021/jm020173u Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine