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Compound Detail

CHEMBL107592

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N=C(N)c1cccc(CC(NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCCCCC2)c1

Basic Information

ChEMBL ID CHEMBL107592
Phase Preclinical
Structure Type MOL
InChI Key VIQGIWIWABCQHU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

478.6
MW (Da)
3.42
ALogP
4
HBA
3
HBD
116.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O3S
MW 478.62
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.01

Activity Summary

Ki 3 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypsin II
CHEMBL4472
Ki 6.13 6.13 740.0 1
Plasminogen
CHEMBL1801
Ki 5.18 5.18 6600.0 1
Urokinase-type plasminogen activator
CHEMBL3286
Ki 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10560742 10.1016/s0960-894x(99)00541-7 Urokinase-type plasminogen activator 1
10560742 10.1016/s0960-894x(99)00541-7 Plasminogen 1
10560742 10.1016/s0960-894x(99)00541-7 Trypsin II 1

Data from ChEMBL 36 via Core Engine