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Compound Detail

CHEMBL420355

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O=C(O)[C@@H]1C[C@H]2CC(Cc3nnn[nH]3)CC[C@H]2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL420355
Phase Preclinical
Structure Type MOL
InChI Key MRJFRJRBZMGQGD-GXIMGVEYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
-0.03
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H17N5O2
MW 251.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.22

Literature References

PubMed DOI Target Context # Activities
1404235 10.1021/jm00097a012 Glutamate NMDA receptor 1
1404235 10.1021/jm00097a012 Unchecked 1
1404235 10.1021/jm00097a012 Mus musculus 1

Data from ChEMBL 36 via Core Engine