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Compound Detail

CHEMBL2023855

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c1ccc(Oc2ccc(Nc3nc(-c4ccc(C5CCCCC5)cc4)cs3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023855
Phase Preclinical
Structure Type MOL
InChI Key AWXAJFGOFLKFKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

426.6
MW (Da)
8.39
ALogP
4
HBA
1
HBD
34.1
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N2OS
MW 426.59
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
22516282 10.1016/j.bmcl.2012.03.013 Unchecked 2
22516282 10.1016/j.bmcl.2012.03.013 Prostaglandin G/H synthase 2 2

Data from ChEMBL 36 via Core Engine