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Compound Detail

CHEMBL5189541

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COc1cc2ncnc(N3CCN(Cc4nc5ccccc5[nH]4)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5189541
Phase Preclinical
Structure Type MOL
InChI Key PQGJOBKTUTTWKZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

404.5
MW (Da)
2.85
ALogP
7
HBA
1
HBD
79.4
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24N6O2
MW 404.47
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
35248836 10.1016/j.ejmech.2022.114218 5-hydroxytryptamine receptor 1A 1
35248836 10.1016/j.ejmech.2022.114218 5-hydroxytryptamine receptor 7 1
35248836 10.1016/j.ejmech.2022.114218 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1

Data from ChEMBL 36 via Core Engine