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Compound Detail

CHEMBL344995

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CN1CCN(Cc2cn(-c3ccccc3)c(-c3ccccc3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL344995
Phase Preclinical
Structure Type MOL
InChI Key HQPLZLFCIJHWSF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.29
ALogP
4
HBA
0
HBD
24.3
PSA (Ų)
0.73
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 C21H24N4
MW 332.45
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
12361392 10.1021/jm020848t D(2) dopamine receptor 1
12361392 10.1021/jm020848t 5-hydroxytryptamine receptor 1A 1
12361392 10.1021/jm020848t 5-hydroxytryptamine receptor 2A 1

Data from ChEMBL 36 via Core Engine