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Compound Detail

CHEMBL4202647

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CC(C)CN1C(=O)CC2C(=C(N)Oc3cc(OCc4ccc(Cl)cc4)ccc32)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4202647
Phase Preclinical
Structure Type MOL
InChI Key IHJJCLDSGQJISS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.9
MW (Da)
3.98
ALogP
5
HBA
1
HBD
81.9
PSA (Ų)
0.73
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 C23H23ClN2O4
MW 426.90
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.62

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