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Compound Detail

CHEMBL4561634

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

Basic Information

ChEMBL ID CHEMBL4561634
Phase Preclinical
Structure Type MOL
InChI Key NSZXDRBZOINNIX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.6
MW (Da)
1.98
ALogP
5
HBA
1
HBD
74.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H32N4O3S
MW 396.56
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.38

Literature References

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

Data from ChEMBL 36 via Core Engine