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Compound Detail

CHEMBL5420375

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CNc1ccc(C(=O)N2CC(=O)N3CCc4ccccc4C3C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420375
Phase Preclinical
Structure Type MOL
InChI Key BXKBULYSFQRCPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

335.4
MW (Da)
2.31
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O2
MW 335.41
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
37970586 10.1021/acsmedchemlett.3c00350 Unchecked 3
37970586 10.1021/acsmedchemlett.3c00350 Schistosoma mansoni 2
37970586 10.1021/acsmedchemlett.3c00350 Rodentolepis nana 1

Data from ChEMBL 36 via Core Engine