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Compound Detail

CHEMBL3740414

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Clc1ccc(OCCNc2cnc3ccccn23)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740414
Phase Preclinical
Structure Type MOL
InChI Key KRTAGWLLMIVOKN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.2
MW (Da)
4.13
ALogP
4
HBA
1
HBD
38.6
PSA (Ų)
0.72
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 C15H13Cl2N3O
MW 322.19
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.16

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