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Compound Detail

CHEMBL61272

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O=C1C2C3C=CC(CC3)C2C(=O)N1CCCCN1CCN(c2ncccn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL61272
Phase Preclinical
Structure Type MOL
InChI Key FOQDWAJWVLXHNP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
1.58
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.41
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 C22H29N5O2
MW 395.51
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -1.09

Literature References

PubMed DOI Target Context # Activities
6131130 10.1021/jm00356a014 Dopamine receptor 1
6131130 10.1021/jm00356a014 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine