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Compound Detail

CHEMBL2315871

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CN(C(=O)C1CCN(c2nc3cc(Cl)ccc3o2)CC1)C1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2315871
Phase Preclinical
Structure Type MOL
InChI Key JZKDNJFWWXZRMP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.9
MW (Da)
4.10
ALogP
4
HBA
0
HBD
49.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24ClN3O2
MW 361.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.73

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