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Compound Detail

CHEMBL332668

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C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2CC(O)C(O)C(O)CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL332668
Phase Preclinical
Structure Type MOL
InChI Key JJRGCHIDOUEATN-WCWKGHBLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
-0.06
ALogP
9
HBA
5
HBD
136.6
PSA (Ų)
0.34
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 C19H25N5O4
MW 387.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
3005574 10.1021/jm00153a008 Mus musculus 2
3005574 10.1021/jm00153a008 Rattus norvegicus 2
3005574 10.1021/jm00153a008 Adenosine receptor A1 1
3005574 10.1021/jm00153a008 Adenosine A2 receptor 1
3005574 10.1021/jm00153a008 Adenosine receptors; A1 & A2 1

Data from ChEMBL 36 via Core Engine