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Compound Detail

CHEMBL206360

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CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](C(=O)N2[C@H](C(=O)O)[C@H]2C(=O)O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL206360
Phase Preclinical
Structure Type MOL
InChI Key KVWPVNRARBTANY-QPSCCSFWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
0.91
ALogP
6
HBA
3
HBD
153.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O8
MW 455.51
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness -0.64

Literature References

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

Data from ChEMBL 36 via Core Engine