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Compound Detail

CHEMBL5194706

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O=C(O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)c(OCc2ccccc2Cl)cc1Oc1cc(=O)oc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5194706
Phase Preclinical
Structure Type MOL
InChI Key NCPSPFYKYCUETO-GCJKJVERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

556.4
MW (Da)
5.49
ALogP
7
HBA
2
HBD
109.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H23Cl2NO7
MW 556.40
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.42

Literature References

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

Data from ChEMBL 36 via Core Engine