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Compound Detail

CHEMBL608296

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CCCCCCCCNC(=O)[C@H]1OC(n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608296
Phase Preclinical
Structure Type MOL
InChI Key MCDJAMMIINNDNH-CDJKEZFESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
0.50
ALogP
9
HBA
4
HBD
148.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H28N6O4
MW 392.46
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 0.48

Activity Summary

Ki 1 meas. best 7.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
2-oxoglutarate receptor 1
CHEMBL2325
 Ki 7.68 7.68 21.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
2-oxoglutarate receptor 1 Ki = 21.0 nM 7.68 Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM ... 11170630

Literature References

PubMed DOI Target Context # Activities
11170630 10.1021/jm000150k 2-oxoglutarate receptor 1 1

Data from ChEMBL 36 via Core Engine