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Compound Detail

CHEMBL4069695

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CN(C(=O)COc1cccc2cccnc12)c1ccccc1N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069695
Phase Preclinical
Structure Type MOL
InChI Key CQYDFYYQEBTAKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
3
PK Parameters
3
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.11
ALogP
5
HBA
0
HBD
54.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O3
MW 377.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.64

Pharmacokinetic Data

Parameter Value Units Species
CL 399.0 mL.min-1.g-1 Homo sapiens
CL 399.0 mL.min-1.g-1 Rattus norvegicus
T1/2 5.083 hr Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
28684121 10.1016/j.bmcl.2017.06.054 Liver 2
28684121 10.1016/j.bmcl.2017.06.054 Sodium channel protein type 9 subunit alpha 1
28684121 10.1016/j.bmcl.2017.06.054 Plasma 1

Data from ChEMBL 36 via Core Engine