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Compound Detail

CHEMBL4218928

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N=C(N)NC(=O)c1nc(-c2ccc3c(c2)OCO3)c(N2CCCCCC2)nc1N

Basic Information

ChEMBL ID CHEMBL4218928
Phase Preclinical
Structure Type MOL
InChI Key VYUIANSIXPARHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
1.46
ALogP
8
HBA
4
HBD
152.5
PSA (Ų)
0.45
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 C19H23N7O3
MW 397.44
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.44

Activity Summary

Ki 1 meas. best 6.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.03 6.03 934.0 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