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Compound Detail

CHEMBL256944

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Cc1cc(Oc2ccccc2NC(=O)Nc2ccc(C3CCS(=O)(=O)CC3)cc2)n(-c2ccccc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL256944
Phase Preclinical
Structure Type MOL
InChI Key BOHWGPHRMBIEFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

551.1
MW (Da)
6.56
ALogP
6
HBA
2
HBD
102.3
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27ClN4O4S
MW 551.07
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
18445527 10.1016/j.bmcl.2008.04.028 P2Y purinoceptor 1 1
27413802 10.1021/acs.jmedchem.5b01972 P2Y purinoceptor 1 1

Data from ChEMBL 36 via Core Engine