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Compound Detail

CHEMBL452225

CITRACRIDONE II
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COc1ccc2c(=O)c3c(O)cc4c(c3n(C)c2c1OC)C=CC(C)(C)O4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452225
Name CITRACRIDONE II
Phase Preclinical
Structure Type MOL
InChI Key OBCBNXMEAJGWOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.60
ALogP
6
HBA
1
HBD
69.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H21NO5
MW 367.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 2.12

Literature References

PubMed DOI Target Context # Activities
10217715 10.1021/np980504z A549 1
10217715 10.1021/np980504z B16 1
10217715 10.1021/np980504z CCRF-HSB-2 1
10217715 10.1021/np980504z TGBC11TKB 1

Data from ChEMBL 36 via Core Engine