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Compound Detail

CHEMBL1288318

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Oc1ccc(-n2cc(-c3cccnc3)nn2)cc1

Basic Information

ChEMBL ID CHEMBL1288318
Phase Preclinical
Structure Type MOL
InChI Key YGNSZPMASIQLDX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
2.03
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H10N4O
MW 238.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.68

Activity Summary

Ki 1 meas. best 4.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
Ki 4.43 4.43 37000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20971005 10.1016/j.bmcl.2010.09.118 MIF/CD74 (Macrophage migration inhibitory factor and HLA-DR antigens-associated invariant chain) 2
20971005 10.1016/j.bmcl.2010.09.118 Macrophage migration inhibitory factor 2
29812929 10.1021/acs.jmedchem.8b00589 Macrophage migration inhibitory factor 1

Data from ChEMBL 36 via Core Engine