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Compound Detail

CHEMBL2096813

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C[C@H](N)C(=O)N[C@H](CCCCN)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2096813
Phase Preclinical
Structure Type MOL
InChI Key QXRNAOYBCYVZCD-NKWVEPMBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
-0.97
ALogP
4
HBA
4
HBD
118.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C9H19N3O3
MW 217.27
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 0.49

Literature References

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

Data from ChEMBL 36 via Core Engine