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Compound Detail

CHEMBL4467297

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CC(C)(C)c1ccc(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2ccccc2Cl)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4467297
Phase Preclinical
Structure Type MOL
InChI Key ZTTPSFRCBCRULF-UHFFFAOYSA-N
Parent Compound CHEMBL4597207
Active Moiety CHEMBL4597207
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

502.0
MW (Da)
4.92
ALogP
5
HBA
2
HBD
99.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29Cl2N3O4S
MW 538.50
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.65

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