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Compound Detail

CHEMBL5401369

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Cn1c(=O)c(C(=O)O)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401369
Phase Preclinical
Structure Type MOL
InChI Key XPVPYNUFQOEFKL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.5
MW (Da)
4.15
ALogP
5
HBA
1
HBD
65.8
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 C28H27N3O3
MW 453.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.63

Literature References

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

Data from ChEMBL 36 via Core Engine