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Compound Detail

CHEMBL1908063

HYOCHOLIC ACID
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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Basic Information

ChEMBL ID CHEMBL1908063
Name HYOCHOLIC ACID
Phase Preclinical
Structure Type MOL
InChI Key DKPMWHFRUGMUKF-KWXDGCAGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

408.6
MW (Da)
3.45
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.57
QED
0
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 C24H40O5
MW 408.58
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.41

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26063305 10.1016/j.ejmech.2015.05.044 ADMET 3
26063305 10.1016/j.ejmech.2015.05.044 Trypanosoma brucei brucei 3
26063305 10.1016/j.ejmech.2015.05.044 Plasmodium falciparum 3
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 2B4 2
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A10 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A8 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 2B15 1

Data from ChEMBL 36 via Core Engine