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Compound Detail

CHEMBL5420631

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COc1ccc(CCOC(=O)NS(=O)(=O)NCC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420631
Phase Preclinical
Structure Type MOL
InChI Key OXQQFYIGDQARIN-WVSUBDOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.6
MW (Da)
-0.77
ALogP
13
HBA
5
HBD
213.0
PSA (Ų)
0.22
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N7O8S
MW 537.56
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 0.23

Literature References

PubMed DOI Target Context # Activities
37948922 10.1016/j.bmc.2023.117509 Unchecked 2

Data from ChEMBL 36 via Core Engine