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Compound Detail

CHEMBL4290603

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CC[C@H](Oc1nc(Oc2cccc(-c3cccc(CN)c3)c2)c(F)cc1F)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4290603
Phase Preclinical
Structure Type MOL
InChI Key ZDHMLADHONAIES-IBGZPJMESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
4.52
ALogP
5
HBA
2
HBD
94.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F2N2O4
MW 414.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.56

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 IC50 5.14 5.14 7260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator IC50 = 7260.0 nM 5.14 Inhibition of human uPA 30201291

Literature References

PubMed DOI Target Context # Activities
30201291 10.1016/j.bmcl.2018.09.001 Urokinase-type plasminogen activator 1
30201291 10.1016/j.bmcl.2018.09.001 Tissue-type plasminogen activator 1
30201291 10.1016/j.bmcl.2018.09.001 Plasminogen 1

Data from ChEMBL 36 via Core Engine