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Compound Detail

CHEMBL5396815

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CC1(C)O[C@@H]2[C@H](O1)[C@@H](CCNS(=O)(=O)NC(=O)OCCc1ccc(Cl)c(Cl)c1)O[C@H]2n1cnc2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396815
Phase Preclinical
Structure Type MOL
InChI Key FTGZHBPKFMWOGT-QTQZEZTPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

616.5
MW (Da)
2.33
ALogP
12
HBA
3
HBD
181.8
PSA (Ų)
0.32
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27Cl2N7O7S
MW 616.48
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.12

Literature References

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

Data from ChEMBL 36 via Core Engine