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Compound Detail

CHEMBL1775017

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CC(C)[C@@]12CC[C@]3(C)[C@H]4CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]4(C)CC[C@@]13O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1775017
Phase Preclinical
Structure Type MOL
InChI Key CMWZPPYBIGXKPR-LPSJIVJRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.7
MW (Da)
7.59
ALogP
2
HBA
0
HBD
29.6
PSA (Ų)
0.39
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 C30H48O2
MW 440.71
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.64

Literature References

PubMed DOI Target Context # Activities
21438586 10.1021/np100415m Plasmodium falciparum 1
21438586 10.1021/np100415m Trypanosoma brucei rhodesiense 1
21438586 10.1021/np100415m L6 1

Data from ChEMBL 36 via Core Engine