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Compound Detail

CHEMBL342233

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COc1ccccc1CNCC1(c2ccccc2)CCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342233
Phase Preclinical
Structure Type MOL
InChI Key XDHFNHKPHMHUIP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
33.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H26N2O
MW 310.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
9804702 10.1021/jm980376b Substance-P receptor 1

Data from ChEMBL 36 via Core Engine