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Compound Detail

CHEMBL4207466

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CCCCCCCCCCCCN1C(=O)CC2C(=C(N)Oc3ccc(C)cc32)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207466
Phase Preclinical
Structure Type MOL
InChI Key ZLUMDCLPHBNDJR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.32
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N2O3
MW 412.57
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness -0.29

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