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Compound Detail

CHEMBL4763168

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Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4763168
Phase Preclinical
Structure Type MOL
InChI Key KPFMOUUROBVSGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
4.41
ALogP
4
HBA
2
HBD
101.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N3O4
MW 375.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 2 2
31727469 10.1016/j.ejmech.2019.111789 Uracil nucleotide/cysteinyl leukotriene receptor 2
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 4 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 6 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 1 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 12 1
31727469 10.1016/j.ejmech.2019.111789 P2Y purinoceptor 14 1

Data from ChEMBL 36 via Core Engine