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Compound Detail

CHEMBL467197

DIHYDROBAICALIN
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O=C1C[C@@H](c2ccccc2)Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c(O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL467197
Name DIHYDROBAICALIN
Phase Preclinical
Structure Type MOL
InChI Key UVNUGBQJLDGZKE-XDZPIWCFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

448.4
MW (Da)
0.08
ALogP
10
HBA
6
HBD
183.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O11
MW 448.38
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.98

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
12713409 10.1021/np0205102 5-hydroxytryptamine receptor 7 1

Data from ChEMBL 36 via Core Engine