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Compound Detail

CHEMBL387463

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CC(=O)O[C@H]1CC[C@@]2(C)C(=CCC3[C@@H]4CC[C@H]([C@H](C)CNCCCCCCCC(=O)O)[C@@]4(C)CC[C@@H]32)C1

Basic Information

ChEMBL ID CHEMBL387463
Phase Preclinical
Structure Type MOL
InChI Key NKHBEWLTNBEWHX-WFZFLSAASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

515.8
MW (Da)
7.15
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H53NO4
MW 515.78
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 1.86

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 Trypanosoma cruzi 1
17004723 10.1021/jm060290f Trypanosoma brucei rhodesiense 1
17004723 10.1021/jm060290f KB 1
17004723 10.1021/jm060290f Leishmania donovani 1

Data from ChEMBL 36 via Core Engine