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Compound Detail

CHEMBL1963636

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

Basic Information

ChEMBL ID CHEMBL1963636
Phase Preclinical
Structure Type MOL
InChI Key KMMZFFKRANKTBW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
0.80
ALogP
4
HBA
6
HBD
157.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O2
MW 366.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
26117647 10.1016/j.bmc.2015.06.012 Glutamate NMDA receptor 4
33550183 10.1016/j.ejmech.2021.113210 Unchecked 2
33550183 10.1016/j.ejmech.2021.113210 Escherichia coli 1
33550183 10.1016/j.ejmech.2021.113210 ADMET 1

Data from ChEMBL 36 via Core Engine