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Compound Detail

CHEMBL110136

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C(#Cc1cccnc1)CCN1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110136
Phase Preclinical
Structure Type MOL
InChI Key RMIQBLNIGZBTHS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
1.44
ALogP
5
HBA
0
HBD
45.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5
MW 293.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
8759640 10.1021/jm950721m D(2) dopamine receptor 1
8759640 10.1021/jm950721m Mus musculus 1

Data from ChEMBL 36 via Core Engine