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Compound Detail

CHEMBL4462819

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CCCC(=O)N1CCCC(N2CCC(c3ncccc3OC)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4462819
Phase Preclinical
Structure Type MOL
InChI Key ABPDXVBJHAUXMG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
3.45
ALogP
4
HBA
0
HBD
45.7
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H33N3O2
MW 359.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
31223452 10.1021/acsmedchemlett.9b00106 Muscarinic acetylcholine receptor M4 1

Data from ChEMBL 36 via Core Engine