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Compound Detail

CHEMBL552426

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COc1ccc(C2=NOC(c3noc(-c4ccccc4N(C)C(=O)O)n3)C2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL552426
Phase Preclinical
Structure Type MOL
InChI Key NAARARLKPMZHMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.4
MW (Da)
3.86
ALogP
7
HBA
1
HBD
110.3
PSA (Ų)
0.68
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 C20H17FN4O5
MW 412.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
19592246 10.1016/j.bmcl.2009.06.052 Macrophage migration inhibitory factor 2

Data from ChEMBL 36 via Core Engine