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Compound Detail

CHEMBL544391

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Cl.NC(CCCCCCc1nnn[nH]1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL544391
Phase Preclinical
Structure Type MOL
InChI Key OEEPVOGICIEXCX-UHFFFAOYSA-N
Parent Compound CHEMBL1193049
Active Moiety CHEMBL1193049
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

227.3
MW (Da)
0.10
ALogP
5
HBA
3
HBD
117.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H18ClN5O2
MW 263.73
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.44

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80089-X Glutamate [NMDA] receptor 2
- 10.1016/S0960-894X(00)80089-X Mus musculus 1

Data from ChEMBL 36 via Core Engine