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Compound Detail

CHEMBL4559320

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O=C1CCc2cc(NC(=O)C(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4559320
Phase Preclinical
Structure Type MOL
InChI Key UHGBOIUPAFXTRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
3
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
2.51
ALogP
4
HBA
2
HBD
81.8
PSA (Ų)
0.74
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 C21H21ClN4O3
MW 412.88
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.83

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