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Compound Detail

CHEMBL1934796

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Cc1ccc(-c2nc3cnc4cc(Br)ccc4c3[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1934796
Phase Preclinical
Structure Type MOL
InChI Key XSAGQMRUVZZZSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.2
MW (Da)
4.85
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12BrN3
MW 338.21
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
22137787 10.1016/j.bmcl.2011.11.015 Prostaglandin E synthase 1
26088337 10.1016/j.bmc.2015.05.045 Prostaglandin E synthase 1

Data from ChEMBL 36 via Core Engine