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Compound Detail

CHEMBL5573704

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CC(=O)/C=C1\Sc2ccccc2N1CCN(C)C.O=C(O)/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5573704
Phase Preclinical
Structure Type MOL
InChI Key GIIPCVVLYLMSBC-MTXKMWOKSA-N
Parent Compound CHEMBL6069903
Active Moiety CHEMBL6069903
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

262.4
MW (Da)
2.59
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O5S
MW 378.45
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.07

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