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Compound Detail

CHEMBL1946428

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CCCCCCCCCCCCCCC(CNC(=O)CCC(=O)O)NC(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946428
Phase Preclinical
Structure Type MOL
InChI Key LFAPUCLYMARTSW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

456.7
MW (Da)
5.95
ALogP
4
HBA
3
HBD
104.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H48N2O5
MW 456.67
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
22119463 10.1016/j.bmcl.2011.10.108 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine