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Compound Detail

CHEMBL427456

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CN(C)CCNC(=O)C1(NS(=O)(=O)c2ccc3c(Cl)cnc(N=C(N)N)c3c2)CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL427456
Phase Preclinical
Structure Type MOL
InChI Key LDQBNBQEPZPATR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

482.0
MW (Da)
1.06
ALogP
6
HBA
4
HBD
155.8
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28ClN7O3S
MW 482.01
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.22

Activity Summary

Ki 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 Ki 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 30.0 nM 7.52 Inhibition of human uPA 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