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Compound Detail

CHEMBL154292

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CNc1nc(Cl)nc2c1ncn2CC(COC(=O)c1ccccc1F)COC(=O)c1ccccc1F

Basic Information

ChEMBL ID CHEMBL154292
Phase Preclinical
Structure Type MOL
InChI Key CLTHIDFXHYTCBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.9
MW (Da)
4.13
ALogP
9
HBA
1
HBD
108.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClF2N5O4
MW 515.90
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.77

Activity Summary

Ki 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Ki 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Ki = 24000.0 nM 4.62 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