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Compound Detail

CHEMBL517151

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COc1ccc2c(c1)C[C@]1(C)[C@@H](C)CC[C@H]3C(C)(C)CCC[C@]31O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL517151
Phase Preclinical
Structure Type MOL
InChI Key GFZLFKCEWJJEFW-SZLKJRAXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

328.5
MW (Da)
5.63
ALogP
2
HBA
0
HBD
18.5
PSA (Ų)
0.66
QED
1
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 C22H32O2
MW 328.50
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.36

Literature References

PubMed DOI Target Context # Activities
11975483 10.1021/np010471e Mycobacterium tuberculosis 1
11975483 10.1021/np010471e Plasmodium falciparum 1
11975483 10.1021/np010471e 5-hydroxytryptamine receptor 2A 1
11975483 10.1021/np010471e 5-hydroxytryptamine receptor 2C 1
11975483 10.1021/np010471e Unchecked 1
11975483 10.1021/np010471e Vero 1

Data from ChEMBL 36 via Core Engine