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Compound Detail

CHEMBL101447

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CCN(CC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN=[N+]=[N-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL101447
Phase Preclinical
Structure Type MOL
InChI Key RRGGXNFCDOKHET-DZGCQCFKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.12
ALogP
2
HBA
0
HBD
69.1
PSA (Ų)
0.45
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 C15H20N4O
MW 272.35
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.02

Literature References

PubMed DOI Target Context # Activities
7636857 10.1021/jm00015a019 Glutamate NMDA receptor 1

Data from ChEMBL 36 via Core Engine