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Compound Detail

CHEMBL190361

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NCCCC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

Basic Information

ChEMBL ID CHEMBL190361
Phase Preclinical
Structure Type MOL
InChI Key BBBXWRGITSUJPB-YUMQZZPRSA-N
0
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
-1.12
ALogP
5
HBA
5
HBD
155.7
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H21N3O5
MW 275.31
Aromatic Rings 0
Heavy Atoms 19
NP-Likeness 0.84

Activity Summary

EC50 1 meas.
IC50 1 meas.
Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
16759105 10.1021/jm0511029 Solute carrier family 15 member 1 4
15974593 10.1021/jm048982w Solute carrier family 15 member 1 1

Data from ChEMBL 36 via Core Engine