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Compound Detail

CHEMBL206043

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CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1[C@H](C(=O)O)[C@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206043
Phase Preclinical
Structure Type BOTH
InChI Key BXVKAWWDHCXMHN-MIMYLULJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.4
MW (Da)
-0.75
ALogP
6
HBA
3
HBD
153.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23N3O8
MW 385.37
Aromatic Rings 0
Heavy Atoms 27
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
16516467 10.1016/j.bmcl.2006.02.026 Rhodesain 1
16516467 10.1016/j.bmcl.2006.02.026 Trypanosoma brucei brucei 1
16516467 10.1016/j.bmcl.2006.02.026 J774 1

Data from ChEMBL 36 via Core Engine