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Compound Detail

CHEMBL4455020

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O=C(c1cc(-c2ccc(=O)[nH]c2)on1)N1CCN(Cc2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4455020
Phase Preclinical
Structure Type MOL
InChI Key MSYXAYZNSQMFHO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

398.9
MW (Da)
2.64
ALogP
5
HBA
1
HBD
82.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClN4O3
MW 398.85
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.93

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