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Compound Detail

CHEMBL347217

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CCNC(=O)O[C@@H]1CC(n2cnc3c(NC)nc(Cl)nc32)O[C@@H]1COP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347217
Phase Preclinical
Structure Type MOL
InChI Key MQNFGUFUZMEZGG-ZAZKALAHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

450.8
MW (Da)
1.03
ALogP
10
HBA
4
HBD
169.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClN6O7P
MW 450.78
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.34

Activity Summary

Ki 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 11000.0 nM 4.96 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