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Compound Detail

CHEMBL178746

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O=C(O)[C@@H]1C[C@H](CCCCc2nn[nH]n2)CCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178746
Phase Preclinical
Structure Type MOL
InChI Key FXPPVZICKBRICG-BDAKNGLRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
0.37
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H19N5O2
MW 253.31
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.26

Literature References

PubMed DOI Target Context # Activities
1825117 10.1021/jm00105a016 Glutamate NMDA receptor 2
1825117 10.1021/jm00105a016 Rattus norvegicus 1
1825117 10.1021/jm00105a016 Mus musculus 1

Data from ChEMBL 36 via Core Engine