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Compound Detail

CHEMBL284053

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Nc1ccc2c(c1)CN1CC(=O)NC1=N2

Basic Information

ChEMBL ID CHEMBL284053
Phase Preclinical
Structure Type MOL
InChI Key RXKRCICBEQANIA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
0.20
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N4O
MW 202.22
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.47

Activity Summary

EC50 2 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
EC50 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 EC50 = 16000.0 nM 4.8 In vitro inhibition of blood platelet aggregation (collagen) in rats 4045917

Literature References

PubMed DOI Target Context # Activities
4045917 10.1021/jm00148a003 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine