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Compound Detail

CHEMBL371194

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O=C(O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL371194
Phase Preclinical
Structure Type MOL
InChI Key RWCOTTLHDJWHRS-YUMQZZPRSA-N
0
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
-0.19
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H16N2O3
MW 212.25
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.20

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