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Compound Detail

CHEMBL605065

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CCNC(=O)[C@H]1OC(n2cnc3c(N)nc(C#Cc4ccc(CCC(=O)O)cc4)nc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL605065
Phase Preclinical
Structure Type MOL
InChI Key GARQAYNTACVSPU-YSPQCQSRSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

480.5
MW (Da)
-0.42
ALogP
10
HBA
5
HBD
185.7
PSA (Ų)
0.29
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6O6
MW 480.48
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.19

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7739005 10.1021/jm00009a007 Adenosine receptor A2a 3
7739005 10.1021/jm00009a007 Adenosine receptor A1 2
7739005 10.1021/jm00009a007 Adenosine receptors; A1 & A2a 1

Data from ChEMBL 36 via Core Engine