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Compound Detail

CHEMBL5999957

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O=COCCCOc1ccc2nc(-c3cn(-c4ccc(O)c(F)c4)nn3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5999957
Phase Preclinical
Structure Type MOL
InChI Key JGDXQFWLJMEOQN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.4
MW (Da)
3.27
ALogP
8
HBA
1
HBD
99.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17FN4O4
MW 408.39
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.18

Activity Summary

Ki 1 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Macrophage migration inhibitory factor
CHEMBL2085
 Ki 7.47 7.47 34.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Macrophage migration inhibitory factor Ki = 34.0 nM 7.47 Inhibition of Tautomerase Activity of Human MIF: Inhibition of the tautomerase a... -

Data from ChEMBL 36 via Core Engine