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Compound Detail

CHEMBL249997

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CCCN1CCOC(c2ccc(O)c(-n3cnnc3)c2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL249997
Phase Preclinical
Structure Type MOL
InChI Key QESQCRYYXRYHDC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

288.4
MW (Da)
1.76
ALogP
6
HBA
1
HBD
63.4
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H20N4O2
MW 288.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
17976986 10.1016/j.bmcl.2007.10.059 D(3) dopamine receptor 1

Data from ChEMBL 36 via Core Engine