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Compound Detail

CHEMBL1741070

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COc1cccc(Nc2cc(S(=O)(=O)O)c(N)c3c2C(=O)c2ccccc2C3=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1741070
Phase Preclinical
Structure Type MOL
InChI Key UOXSNOOWASRNHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
3.04
ALogP
7
HBA
3
HBD
135.8
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O6S
MW 424.43
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.42

Literature References

PubMed DOI Target Context # Activities
28306255 10.1021/acs.jmedchem.7b00030 P2Y purinoceptor 4 2

Data from ChEMBL 36 via Core Engine