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Compound Detail

CHEMBL457256

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C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(O)c(Cl)c2C[C@]13C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457256
Phase Preclinical
Structure Type MOL
InChI Key WTHNHDFNKOVPBI-LNWOYWOMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

348.9
MW (Da)
5.98
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.62
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H29ClO2
MW 348.91
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.63

Literature References

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

Data from ChEMBL 36 via Core Engine