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Compound Detail

CHEMBL3741137

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N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3ccccn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741137
Phase Preclinical
Structure Type MOL
InChI Key PEKSNWQXOLUWTR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
3.31
ALogP
5
HBA
4
HBD
104.1
PSA (Ų)
0.32
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 C20H19N7
MW 357.42
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.80

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26575094 10.1021/acs.jmedchem.5b01171 Urokinase-type plasminogen activator 1
26575094 10.1021/acs.jmedchem.5b01171 Coagulation factor VII 1
26575094 10.1021/acs.jmedchem.5b01171 Prothrombin 1
26575094 10.1021/acs.jmedchem.5b01171 Tissue-type plasminogen activator 1
26575094 10.1021/acs.jmedchem.5b01171 Coagulation factor X 1
26575094 10.1021/acs.jmedchem.5b01171 Plasminogen 1
26575094 10.1021/acs.jmedchem.5b01171 Plasma kallikrein 1
26575094 10.1021/acs.jmedchem.5b01171 Unchecked 1

Data from ChEMBL 36 via Core Engine