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Compound Detail

CHEMBL217576

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C[C@H](C(=O)NCCCCCCCC(=O)O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Basic Information

ChEMBL ID CHEMBL217576
Phase Preclinical
Structure Type MOL
InChI Key UQGWAXLBYYPNLN-KCSPDKRNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

487.7
MW (Da)
6.10
ALogP
3
HBA
3
HBD
86.6
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H49NO4
MW 487.73
Aromatic Rings 0
Heavy Atoms 35
NP-Likeness 1.70

Literature References

PubMed DOI Target Context # Activities
17004723 10.1021/jm060290f Cycloartenol-C-24-methyltransferase 2
17004723 10.1021/jm060290f Plasmodium falciparum 2
17004723 10.1021/jm060290f Leishmania donovani 1
17004723 10.1021/jm060290f Trypanosoma cruzi 1
17004723 10.1021/jm060290f Trypanosoma brucei rhodesiense 1
17004723 10.1021/jm060290f KB 1

Data from ChEMBL 36 via Core Engine