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Compound Detail

CHEMBL465873

DIHYDROCITRININ
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Cc1c(O)c(C(=O)O)c(O)c2c1[C@H](C)[C@@H](C)OC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465873
Name DIHYDROCITRININ
Phase Preclinical
Structure Type MOL
InChI Key OHTHCLNOXXLROK-IYSWYEEDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.13
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H16O5
MW 252.27
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 1.97

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18281952 10.1021/np0704708 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine