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Compound Detail

CHEMBL3298698

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CCCCCCCCCCC[C@H](OC(C)=O)[C@H](C)NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3298698
Phase Preclinical
Structure Type MOL
InChI Key LHTFDJUSHWHGTR-YJBOKZPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.5
MW (Da)
4.36
ALogP
3
HBA
1
HBD
55.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H35NO3
MW 313.48
Aromatic Rings 0
Heavy Atoms 22
NP-Likeness 0.96

Literature References

PubMed DOI Target Context # Activities
24856903 10.1021/np500171z Mycobacterium tuberculosis 2

Data from ChEMBL 36 via Core Engine