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Compound Detail

CHEMBL4786491

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COC(=O)c1cccc(NC(=O)Nc2cccc(C(=O)Nc3cccc(C)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4786491
Phase Preclinical
Structure Type MOL
InChI Key YASUBQFVWXABEY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

403.4
MW (Da)
4.68
ALogP
4
HBA
3
HBD
96.5
PSA (Ų)
0.54
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 C23H21N3O4
MW 403.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.21

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