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Compound Detail

CHEMBL1096731

CYCLORIGIDOL
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CC(C)=CCc1c(O)c(CC=C(C)C)c2oc3c(c(=O)c2c1O)C(C=C(C)C)Oc1cc(O)c(O)cc1-3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096731
Name CYCLORIGIDOL
Phase Preclinical
Structure Type MOL
InChI Key MOPJKKUUKHCZPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
6.70
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.23
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H32O7
MW 504.58
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness 2.15

Literature References

PubMed DOI Target Context # Activities
20384315 10.1021/np1002065 Nuclear factor NF-kappa-B p105 subunit 1
20384315 10.1021/np1002065 Transcription factor p65 1
20384315 10.1021/np1002065 HT-29 1

Data from ChEMBL 36 via Core Engine