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Compound Detail

CHEMBL608033

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CCCCC#Cc1nc(N)c2ncn(C3O[C@H](C/N=C(\S)NC)[C@@H](O)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL608033
Phase Preclinical
Structure Type MOL
InChI Key BHVKZSLIKGUWGD-NVONZOAYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
0.07
ALogP
9
HBA
5
HBD
143.7
PSA (Ų)
0.15
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 C18H25N7O3S
MW 419.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
1495019 10.1021/jm00093a022 Rattus norvegicus 2
1495019 10.1021/jm00093a022 Adenosine receptor A1 1
1495019 10.1021/jm00093a022 Adenosine A2 receptor 1

Data from ChEMBL 36 via Core Engine