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Compound Detail

CHEMBL5410966

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Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCNS(=O)(=O)NC(=O)OCCc2ccccc2Cl)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5410966
Phase Preclinical
Structure Type MOL
InChI Key JCMBHSQEBKWSDK-NVQRDWNXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

542.0
MW (Da)
-0.13
ALogP
12
HBA
5
HBD
203.8
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24ClN7O7S
MW 541.97
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.04

Literature References

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

Data from ChEMBL 36 via Core Engine