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Compound Detail

CHEMBL4208530

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N=C(N)NC(=O)c1nc(-c2cnc(NCCO)nc2)c(N2CCCCCC2)nc1N

Basic Information

ChEMBL ID CHEMBL4208530
Phase Preclinical
Structure Type MOL
InChI Key GLGNRKUDHUFGPM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
-0.08
ALogP
10
HBA
6
HBD
192.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N10O2
MW 414.47
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.68

Activity Summary

Ki 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 7.39 7.39 41.0 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