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Compound Detail

CHEMBL46743

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O=C(O)CCCCCCN1C(=O)CC[C@@H]1CCC(=O)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL46743
Phase Preclinical
Structure Type MOL
InChI Key RFKBUOOIXPMTCS-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
4.69
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26F3NO4
MW 413.44
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
15026044 10.1016/j.bmcl.2004.01.063 Prostaglandin E2 receptor EP4 subtype 2
15026044 10.1016/j.bmcl.2004.01.063 Prostaglandin E2 receptor EP1 subtype 1
15026044 10.1016/j.bmcl.2004.01.063 Prostaglandin E2 receptor EP2 subtype 1
15026044 10.1016/j.bmcl.2004.01.063 Prostaglandin E2 receptor EP3 subtype 1

Data from ChEMBL 36 via Core Engine