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Compound Detail

CHEMBL526931

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CC(=O)O[C@@]12[C@H](OC(=O)C(=C(C)C)N(C)C)[C@@H](C)[C@]3(O)[C@@H]4C=C(C)C(=O)[C@@H]4CC(CO)=C[C@H]3[C@@H]1C2(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL526931
Phase Preclinical
Structure Type MOL
InChI Key HHIRMXJEGFWTGN-VHQOBAGBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.6
MW (Da)
2.79
ALogP
8
HBA
2
HBD
113.4
PSA (Ų)
0.33
QED
1
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 C29H41NO7
MW 515.65
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 2.83

Literature References

PubMed DOI Target Context # Activities
16792405 10.1021/np0504311 Prostaglandin G/H synthase 2 1

Data from ChEMBL 36 via Core Engine