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Compound Detail

CHEMBL551628

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N=C(N)c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551628
Phase Preclinical
Structure Type MOL
InChI Key RRGBOWXXLBROIW-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
3.83
ALogP
2
HBA
3
HBD
70.1
PSA (Ų)
0.38
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 C21H20N2O
MW 316.40
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.33

Activity Summary

Ki 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urokinase-type plasminogen activator
CHEMBL3286
 Ki 6.4 6.4 398.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Urokinase-type plasminogen activator Ki = 398.11 nM 6.4 Inhibition of urokinase 19385614

Literature References

PubMed DOI Target Context # Activities
19385614 10.1021/jm801444x Urokinase-type plasminogen activator 1

Data from ChEMBL 36 via Core Engine