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Compound Detail

CHEMBL4454452

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O=C(Nc1ccc2[nH]c(=O)oc2c1)C(=O)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4454452
Phase Preclinical
Structure Type MOL
InChI Key PIPLWNRIBPSIPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
1.41
ALogP
5
HBA
2
HBD
98.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O4
MW 366.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.69

Pharmacokinetic Data

Parameter Value Units Species
CL - - Rattus norvegicus
F - % Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
30833109 10.1016/j.bmcl.2019.02.017 Glutamate receptor ionotropic, NMDA 2B 2
30833109 10.1016/j.bmcl.2019.02.017 ADMET 2
30833109 10.1016/j.bmcl.2019.02.017 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine