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Compound Detail

CHEMBL522245

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O=C(Nc1cnc(-c2ccccc2)cn1)N1CCC2(CC1)OCc1ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522245
Phase Preclinical
Structure Type MOL
InChI Key FUQBDKYELHXTHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.4
MW (Da)
4.20
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O2
MW 386.45
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.91

Pharmacokinetic Data

Parameter Value Units Species
F - % Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
19464889 10.1016/j.bmcl.2009.05.013 Rattus norvegicus 2
19464889 10.1016/j.bmcl.2009.05.013 Neuropeptide Y receptor type 5 1
19464889 10.1016/j.bmcl.2009.05.013 Brain 1
19464889 10.1016/j.bmcl.2009.05.013 Cerebrospinal fluid 1

Data from ChEMBL 36 via Core Engine