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Compound Detail

CHEMBL217066

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COC(=O)CNC[C@@H](C)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL217066
Phase Preclinical
Structure Type MOL
InChI Key HFYYJWVQBFQKAK-DUJSRLDGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

403.6
MW (Da)
4.33
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H41NO3
MW 403.61
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.04

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