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Compound Detail

CHEMBL5406227

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CCN(CC)c1ccc(C(=O)/C=C/c2ccc3cnccc3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5406227
Phase Preclinical
Structure Type MOL
InChI Key JIRRDWVYNXSGAW-WUXMJOGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.4
MW (Da)
4.98
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O
MW 330.43
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
37549850 10.1016/j.bmcl.2023.129435 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine