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Compound Detail

CHEMBL110026

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N=C(N)c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1

Basic Information

ChEMBL ID CHEMBL110026
Phase Preclinical
Structure Type MOL
InChI Key IBIOBBJOSFKEEH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
5.11
ALogP
2
HBA
3
HBD
79.0
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O
MW 371.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

Ki 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
Ki 6.78 6.78 167.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14711304 10.1021/jm0300072 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine