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Compound Detail

CHEMBL4527224

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CC(C)(C)c1ccc(CN(Cc2ccc3ccn(CC(=O)O)c3c2)S(=O)(=O)c2cccnc2)cc1.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4527224
Phase Preclinical
Structure Type MOL
InChI Key SKGINFCXLCGSIF-UHFFFAOYSA-N
Parent Compound CHEMBL4595893
Active Moiety CHEMBL4595893
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

491.6
MW (Da)
4.81
ALogP
5
HBA
1
HBD
92.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30F3N3O6S
MW 605.64
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
29995405 10.1021/acs.jmedchem.8b00808 Prostaglandin E2 receptor EP2 subtype 1

Data from ChEMBL 36 via Core Engine