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Compound Detail

CHEMBL5193064

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C1=CC2C=CC(CN3CCN(c4cccc5cn[nH]c45)CC3)=NC2C=C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5193064
Phase Preclinical
Structure Type MOL
InChI Key JYDWLECWMOFXIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

345.4
MW (Da)
2.81
ALogP
4
HBA
1
HBD
47.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5
MW 345.45
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.74

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