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Compound Detail

CHEMBL223864

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C[C@H](NS(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223864
Phase Preclinical
Structure Type MOL
InChI Key WCTDCNDFJVKKHF-LURJTMIESA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
0.54
ALogP
5
HBA
4
HBD
160.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14ClN5O4S
MW 371.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.06

Activity Summary

Ki 2 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 Ki 7.68 7.68 21.0 1
Plasminogen
CHEMBL1801
 Ki 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 21.0 nM 7.68 Inhibition of human uPA 17447747
Plasminogen Ki = 15000.0 nM 4.82 Inhibition of human plasmin 17447747

Literature References

PubMed DOI Target Context # Activities
17447747 10.1021/jm061066t Urokinase-type plasminogen activator 1
17447747 10.1021/jm061066t Plasminogen 1
17447747 10.1021/jm061066t Tissue-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine