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Compound Detail

CHEMBL5188556

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N#Cc1cccc(COc2cc(Oc3cc(=O)oc4c3ccc3ccccc34)c(CN3CCC[C@H]3C(=O)O)cc2Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5188556
Phase Preclinical
Structure Type MOL
InChI Key NEAPIRUMEFHPJE-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

581.0
MW (Da)
6.89
ALogP
7
HBA
1
HBD
113.0
PSA (Ų)
0.16
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H25ClN2O6
MW 581.02
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
34954618 10.1016/j.bmc.2021.116579 Unchecked 1

Data from ChEMBL 36 via Core Engine