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Compound Detail

CHEMBL1946427

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

Basic Information

ChEMBL ID CHEMBL1946427
Phase Preclinical
Structure Type MOL
InChI Key DBDBNZROUVDIOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.8
MW (Da)
8.14
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H56N2O2
MW 440.76
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness -0.08

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