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Compound Detail

CHEMBL2024316

GLYCYRRHIZINIC ACID AMMONIUM SALT HYDRATE
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CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.N.O

Basic Information

ChEMBL ID CHEMBL2024316
Name GLYCYRRHIZINIC ACID AMMONIUM SALT HYDRATE
Phase Preclinical
Structure Type MOL
InChI Key CJHBZVGEWCEETI-URSZRVLFSA-N
Parent Compound CHEMBL2027978
Active Moiety CHEMBL2027978
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

809.0
MW (Da)
2.15
ALogP
13
HBA
8
HBD
250.0
PSA (Ų)
0.17
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H69NO16
MW 844.01
Aromatic Rings 0
Heavy Atoms 57
NP-Likeness 2.80

Activity Summary

EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22503361 10.1016/j.bmc.2012.03.032 ECV-304 2
22503361 10.1016/j.bmc.2012.03.032 No relevant target 2

Data from ChEMBL 36 via Core Engine