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Compound Detail

CHEMBL4208404

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Cc1ccc2c(c1)OC(N)=C1C(=O)N(CCc3ccc(Cl)cc3)C(=O)CC12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4208404
Phase Preclinical
Structure Type MOL
InChI Key USWWYYQVHADSRE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.9
MW (Da)
3.30
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19ClN2O3
MW 382.85
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.58

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