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Compound Detail

CHEMBL3740528

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N=C(N)NCCCCNc1cnc2ccccn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740528
Phase Preclinical
Structure Type MOL
InChI Key CDCHRQLQXJKHDD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
1.01
ALogP
4
HBA
4
HBD
91.2
PSA (Ų)
0.35
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N6
MW 246.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.42

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26575094 10.1021/acs.jmedchem.5b01171 Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine