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Compound Detail

CHEMBL5417349

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Cn1c(=O)c([N+](=O)[O-])c(N2CCN(CCc3ccccc3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417349
Phase Preclinical
Structure Type MOL
InChI Key IYHYTEQJAOLABY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
2.81
ALogP
6
HBA
0
HBD
71.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N4O3
MW 392.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
37465293 10.1021/acsmedchemlett.3c00063 ADMET 2
37465293 10.1021/acsmedchemlett.3c00063 Raji 2

Data from ChEMBL 36 via Core Engine