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Compound Detail

CHEMBL5438716

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CCN(CC)CCc1n[nH]c2ccc(OC)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5438716
Phase Preclinical
Structure Type MOL
InChI Key MKZGERMXGVVRAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

247.3
MW (Da)
2.46
ALogP
3
HBA
1
HBD
41.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N3O
MW 247.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
38352850 10.1021/acsmedchemlett.3c00566 5-hydroxytryptamine receptor 2B 3
38352850 10.1021/acsmedchemlett.3c00566 5-hydroxytryptamine receptor 2C 3
38352850 10.1021/acsmedchemlett.3c00566 5-hydroxytryptamine receptor 2A 2

Data from ChEMBL 36 via Core Engine