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Compound Detail

CHEMBL4210876

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Cc1ccc2c(c1)C1CC(=O)N(CCc3c[nH]c4ccccc34)C(=O)C1=C(N)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4210876
Phase Preclinical
Structure Type MOL
InChI Key NHSCFHLVSPTDFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
3.12
ALogP
4
HBA
2
HBD
88.4
PSA (Ų)
0.68
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 C23H21N3O3
MW 387.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.42

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