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Compound Detail

CHEMBL1963649

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N=C(N)c1ccc(C(=O)NCCCCCNC(=O)c2ccc(C(=N)N)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963649
Phase Preclinical
Structure Type MOL
InChI Key VDGQSXQXRWMNOY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
1.58
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N6O2
MW 394.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.29

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
26117647 10.1016/j.bmc.2015.06.012 Glutamate NMDA receptor 4

Data from ChEMBL 36 via Core Engine