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Compound Detail

CHEMBL328834

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NC(=O)c1cn(C2OC(CO)C(O)C2O)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL328834
Phase Preclinical
Structure Type MOL
InChI Key OBZJZDHRXBKKTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
-2.28
ALogP
9
HBA
5
HBD
169.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H15N5O5
MW 309.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.81

Activity Summary

IC50 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 3
CHEMBL2731
 IC50 5.89 5.89 1280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 3 IC50 = 1280.0 nM 5.89 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Data from ChEMBL 36 via Core Engine