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Compound Detail

CHEMBL4785972

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C[C@H](NP(=O)(N[C@@H](C)C(=O)OCc1ccccc1)OC[C@H]1O[C@@H](c2cc(Cl)c3c(N)ncnn23)[C@H](O)[C@@H]1O)C(=O)OCc1ccccc1

Basic Information

ChEMBL ID CHEMBL4785972
Phase Preclinical
Structure Type MOL
InChI Key BDGNQVUGBRTLGL-CGJSZKQNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

703.1
MW (Da)
2.69
ALogP
13
HBA
5
HBD
208.9
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H36ClN6O9P
MW 703.09
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness 0.09

Literature References

PubMed DOI Target Context # Activities
32294613 10.1016/j.ejmech.2020.112198 RAW264.7 1
32294613 10.1016/j.ejmech.2020.112198 Unchecked 1

Data from ChEMBL 36 via Core Engine