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Compound Detail

CHEMBL238493

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CS(=O)(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1

Basic Information

ChEMBL ID CHEMBL238493
Phase Preclinical
Structure Type MOL
InChI Key IBIDHFLEIDMKCW-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

488.5
MW (Da)
3.76
ALogP
6
HBA
4
HBD
143.6
PSA (Ų)
0.19
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N4O5PS
MW 488.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.49

Activity Summary

IC50 5 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
IC50 8.18 8.18 6.6 1
Tissue-type plasminogen activator
CHEMBL1873
IC50 5.1 5.1 8000.0 1
Plasminogen
CHEMBL1801
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18052026 10.1021/jm700962j Unchecked 4
18052026 10.1021/jm700962j Urokinase-type plasminogen activator 2
18052026 10.1021/jm700962j Tissue-type plasminogen activator 1
18052026 10.1021/jm700962j Plasminogen 1
18052026 10.1021/jm700962j Prothrombin 1
18052026 10.1021/jm700962j Coagulation factor X 1

Data from ChEMBL 36 via Core Engine