Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL463442

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@H]1CC[C@H]2C(C)(C)CCC[C@]23Oc2ccc(OC(=S)N(C)C)cc2C[C@]13C

Basic Information

ChEMBL ID CHEMBL463442
Phase Preclinical
Structure Type MOL
InChI Key DRTPUUQCYHYPIT-FOEAQLGISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

401.6
MW (Da)
5.85
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.55
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 C24H35NO2S
MW 401.62
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 1.82

Literature References

PubMed DOI Target Context # Activities
11975483 10.1021/np010471e Mycobacterium tuberculosis 3
11975483 10.1021/np010471e Unchecked 2
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 Vero 1

Data from ChEMBL 36 via Core Engine