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Compound Detail

CHEMBL349568

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C1=C(c2ccccc2)CCC(CN2CCN(c3ccccn3)CC2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL349568
Phase Preclinical
Structure Type MOL
InChI Key JGNXULKJDFTLJS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
4.09
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.84
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 C22H27N3
MW 333.48
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)81245-2 D(2) dopamine receptor 1
- 10.1016/S0960-894X(01)81245-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine