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Compound Detail

CHEMBL5574812

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COc1ccc2c(c1)S/C(=C\C(C)=O)N2CCN(C)C.O=C(O)/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5574812
Phase Preclinical
Structure Type MOL
InChI Key YFJIWMCCAJQHMN-XAYIRVKOSA-N
Parent Compound CHEMBL6070352
Active Moiety CHEMBL6070352
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
2.60
ALogP
5
HBA
0
HBD
32.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2O6S
MW 408.48
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
38648167 10.1021/acs.jmedchem.3c01696 5-hydroxytryptamine receptor 2A 2
38648167 10.1021/acs.jmedchem.3c01696 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 1

Data from ChEMBL 36 via Core Engine