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Compound Detail

CHEMBL5419717

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CC1CN(C(=O)OC(C)(C)C)CCN1CCOC(=O)NS(=O)(=O)NCC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5419717
Phase Preclinical
Structure Type MOL
InChI Key PWBNWHPKGDNELY-BWZSZYTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

629.7
MW (Da)
-1.08
ALogP
15
HBA
5
HBD
236.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H39N9O9S
MW 629.70
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness -0.29

Literature References

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

Data from ChEMBL 36 via Core Engine