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Compound Detail

CHEMBL378905

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NCC(=O)NCC(=O)NCC(=O)NCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL378905
Phase Preclinical
Structure Type BOTH
InChI Key QMOQBVOBWVNSNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

246.2
MW (Da)
-3.62
ALogP
5
HBA
5
HBD
150.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H14N4O5
MW 246.22
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 3
18805690 10.1016/j.bmcl.2008.09.013 Candida albicans 2
18805690 10.1016/j.bmcl.2008.09.013 Escherichia coli 2
12906759 10.1211/0022357021440 Solute carrier organic anion transporter family member 1B1 2
24249037 10.1007/s11095-013-1232-z No relevant target 2

Data from ChEMBL 36 via Core Engine