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Compound Detail

CHEMBL2046488

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O=C(Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1)c1cccnc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2046488
Phase Preclinical
Structure Type MOL
InChI Key UXPPPPJVCIUSDN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.97
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N4O2
MW 396.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
22449023 10.1021/jm201687d Prostaglandin E synthase 1
26088337 10.1016/j.bmc.2015.05.045 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine