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Compound Detail

CHEMBL4207413

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C[N+](C)(C)c1ccc(C(=O)N2CCCCc3ccccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4207413
Phase Preclinical
Structure Type MOL
InChI Key XSNCGGUSKZWUFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.87
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25N2O+
MW 309.43
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
30199637 10.1021/acs.jmedchem.8b00697 Vasopressin V1a receptor 3
30199637 10.1021/acs.jmedchem.8b00697 Vasopressin V2 receptor 3
30199637 10.1021/acs.jmedchem.8b00697 Oxytocin receptor 3

Data from ChEMBL 36 via Core Engine