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Compound Detail

CHEMBL2315874

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O=S(=O)(NC1CCCC1)C1CCN(c2nc3cc(Cl)ccc3o2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315874
Phase Preclinical
Structure Type MOL
InChI Key HPWJOWKSDZBHEL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.9
MW (Da)
3.31
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.88
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 C17H22ClN3O3S
MW 383.90
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
23266122 10.1016/j.bmcl.2012.10.040 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine