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Compound Detail

CHEMBL4207061

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COc1cc(OC)cc(-c2nc(C(=O)NC(=N)N)c(N)nc2N2CCCCCC2)c1

Basic Information

ChEMBL ID CHEMBL4207061
Phase Preclinical
Structure Type MOL
InChI Key LUHQRHGHXGUSNK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
1.75
ALogP
8
HBA
4
HBD
152.5
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H27N7O3
MW 413.48
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.45

Activity Summary

Ki 1 meas. best 5.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 5.88 5.88 1319.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30130401 10.1021/acs.jmedchem.8b00838 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine