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Compound Detail

CHEMBL1569489

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CC1CC(=O)NN=C1c1ccc(NCCO)c([N+](=O)[O-])c1

Basic Information

ChEMBL ID CHEMBL1569489
Phase Preclinical
Structure Type MOL
InChI Key RCDCUPNJOXNWIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

292.3
MW (Da)
0.86
ALogP
6
HBA
3
HBD
116.9
PSA (Ų)
0.55
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 C13H16N4O4
MW 292.30
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
IC50 6.43 6.43 367.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 367.22 nM 6.43 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine