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Compound Detail

CHEMBL5569583

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Cc1nccc2c3ccccc3n(CCN(C)C)c12.O=C(O)/C=C/C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5569583
Phase Preclinical
Structure Type MOL
InChI Key BQAMOUVEYUSVBE-WLHGVMLRSA-N
Parent Compound CHEMBL5613308
Active Moiety CHEMBL5613308
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
3.06
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3O4
MW 369.42
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.61

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