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Compound Detail

CHEMBL149837

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NCc1ccc(C(=O)Nc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL149837
Phase Preclinical
Structure Type MOL
InChI Key LHYJIWDAOGVEBH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

226.3
MW (Da)
2.40
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O
MW 226.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.13

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
10602702 10.1021/jm9910728 Serine protease 1 1
31635931 10.1016/j.bmcl.2019.126714 CCRF-CEM 1
31635931 10.1016/j.bmcl.2019.126714 K562 1
31635931 10.1016/j.bmcl.2019.126714 U-937 1

Data from ChEMBL 36 via Core Engine