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Compound Detail

CHEMBL4531675

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CC(=O)N1N=C(c2cc3ccccc3oc2=O)CC1c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4531675
Phase Preclinical
Structure Type MOL
InChI Key XFDFIKFTJLMQFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

366.8
MW (Da)
4.14
ALogP
4
HBA
0
HBD
62.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClN2O3
MW 366.80
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
30996860 10.1039/C8MD00457A Erythrocyte 2
30996860 10.1039/C8MD00457A Unchecked 1
30996860 10.1039/C8MD00457A Prostaglandin G/H synthase 1 1
30996860 10.1039/C8MD00457A Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine