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Compound Detail

CHEMBL4864631

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CN1C(=O)[C@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4864631
Phase Preclinical
Structure Type MOL
InChI Key KNOUWGGQMADIBV-QGZVFWFLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.42
ALogP
5
HBA
1
HBD
84.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4
MW 377.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
33964444 10.1016/j.bmcl.2021.128084 U-937 1

Data from ChEMBL 36 via Core Engine