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Compound Detail

CHEMBL2380872

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O=C(OCCCN1CCOCC1)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2380872
Phase Preclinical
Structure Type MOL
InChI Key JCAMPPWDUBXTRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
4.13
ALogP
7
HBA
0
HBD
77.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O5
MW 416.86
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
23651359 10.1021/jm301905a Prostaglandin G/H synthase 2 1
23651359 10.1021/jm301905a Prostaglandin G/H synthase 1 1

Data from ChEMBL 36 via Core Engine