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Compound Detail

CHEMBL4203654

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N=C(N)NC(=O)c1nc(Nc2ncccn2)c(N2CCCCCC2)nc1N

Basic Information

ChEMBL ID CHEMBL4203654
Phase Preclinical
Structure Type MOL
InChI Key FFXUEPWQFNBYKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
0.60
ALogP
9
HBA
5
HBD
171.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H22N10O
MW 370.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.99

Activity Summary

Ki 1 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.64 6.64 228.0 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