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Compound Detail

CHEMBL1784936

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CN(C)c1cccc2c(S(=O)(=O)N3CCN(CCCCN4C(=O)C5CCCN5C4=O)CC3)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1784936
Phase Preclinical
Structure Type MOL
InChI Key GPIKDAUJGXRSFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.7
MW (Da)
2.42
ALogP
6
HBA
0
HBD
84.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H35N5O4S
MW 513.66
Aromatic Rings 2
Heavy Atoms 36
NP-Likeness -1.40

Literature References

PubMed DOI Target Context # Activities
24900203 10.1021/ml100053y 5-hydroxytryptamine receptor 1A 1

Data from ChEMBL 36 via Core Engine