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Compound Detail

CHEMBL153810

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CNc1nc(Cl)nc2c1ncn2CC(COP(=O)(O)OP(=O)(O)O)CP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL153810
Phase Preclinical
Structure Type MOL
InChI Key BSEQAJJHXMWROO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
0.54
ALogP
10
HBA
6
HBD
226.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H17ClN5O10P3
MW 495.65
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.17

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 1100.0 nM 5.96 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