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Compound Detail

CHEMBL152942

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CNc1nc(Cl)nc2c1ncn2[C@H]1CC(OP(=O)(O)O)[C@]2(COC(C)=O)CC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL152942
Phase Preclinical
Structure Type MOL
InChI Key QCAPBWBCTSUZSO-OTIRRBEWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.8
MW (Da)
1.51
ALogP
9
HBA
3
HBD
148.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19ClN5O6P
MW 431.77
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.90

Activity Summary

Ki 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 Ki 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 16000.0 nM 4.8 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