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Compound Detail

CHEMBL4564871

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C[C@H]1[C@H](C)CC[C@]2(C(=O)OCCn3cnnc3-c3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564871
Phase Preclinical
Structure Type MOL
InChI Key BZZKGHTVWSRZTD-VGAPYIBMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

627.9
MW (Da)
8.51
ALogP
6
HBA
1
HBD
77.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H57N3O3
MW 627.91
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness 1.69

Literature References

PubMed DOI Target Context # Activities
31585276 10.1016/j.ejmech.2019.111711 Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine