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Compound Detail

CHEMBL4593898

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CC(C)(C)c1ccc(CN(Cc2cc(NCC(=O)O)ccn2)S(=O)(=O)c2cccnc2)cc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593898
Phase Preclinical
Structure Type MOL
InChI Key AGQWGWXLTCFGBM-UHFFFAOYSA-N
Parent Compound CHEMBL4596028
Active Moiety CHEMBL4596028
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
3.66
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29ClN4O4S
MW 505.04
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.59

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