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Compound Detail

CHEMBL4214173

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NC1=C2C(=O)N(Cc3ccncc3)C(=O)CC2c2ccc(OCc3ccc(Cl)cc3)cc2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4214173
Phase Preclinical
Structure Type MOL
InChI Key VBYOTIRAINNLSE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

461.9
MW (Da)
3.92
ALogP
6
HBA
1
HBD
94.8
PSA (Ų)
0.58
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 C25H20ClN3O4
MW 461.91
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.73

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