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Compound Detail

CHEMBL5631697

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Nc1nc(I)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@]2(CO)C[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5631697
Phase Preclinical
Structure Type MOL
InChI Key JIMYNOXTVNTIJY-OBPILZPTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

403.2
MW (Da)
-0.71
ALogP
8
HBA
4
HBD
130.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14IN5O3
MW 403.18
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.13

Literature References

PubMed DOI Target Context # Activities
37562117 10.1016/j.ejmech.2023.115691 5-hydroxytryptamine receptor 2A 1
37562117 10.1016/j.ejmech.2023.115691 5-hydroxytryptamine receptor 2B 1
37562117 10.1016/j.ejmech.2023.115691 5-hydroxytryptamine receptor 2C 1
37562117 10.1016/j.ejmech.2023.115691 Adenosine receptor A1 1
37562117 10.1016/j.ejmech.2023.115691 Adenosine receptor A2a 1
37562117 10.1016/j.ejmech.2023.115691 Adenosine receptor A3 1

Data from ChEMBL 36 via Core Engine