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Compound Detail

CHEMBL3739955

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N=C(N)Nc1ccc(CNc2c(-c3cccnc3)nc3ccc(C(F)(F)F)cn23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3739955
Phase Preclinical
Structure Type MOL
InChI Key HHCFYYDPPMHJQX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
4.33
ALogP
5
HBA
4
HBD
104.1
PSA (Ų)
0.28
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 C21H18F3N7
MW 425.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.76

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