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Compound Detail

CHEMBL4217815

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CCOc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3c[nH]c4ccccc34)C(=O)CC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4217815
Phase Preclinical
Structure Type MOL
InChI Key NYRZMKRVYBVWNW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.21
ALogP
5
HBA
2
HBD
97.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N3O4
MW 417.47
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
29428527 10.1016/j.bmc.2017.12.032 Macrophage migration inhibitory factor 2

Data from ChEMBL 36 via Core Engine