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Compound Detail

CHEMBL5591375

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O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCc2c([nH]c3ccccc23)C1

Basic Information

ChEMBL ID CHEMBL5591375
Phase Preclinical
Structure Type MOL
InChI Key ZUHQOLLTRXGOBT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
3.63
ALogP
4
HBA
1
HBD
88.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15N3O4
MW 337.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.04

Activity Summary

IC50 2 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 7.17 7.17 66.8 1
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.23 5.23 5870.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38325006 10.1016/j.ejmech.2024.116208 Mus musculus 2
38325006 10.1016/j.ejmech.2024.116208 Transient receptor potential cation channel subfamily V member 1 1
38325006 10.1016/j.ejmech.2024.116208 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine