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Compound Detail

CHEMBL1161053

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COc1ccccc1N1CCN(Cc2ccc(CN(Cc3ccccc3)C(=O)c3ccccc3)n2C)CC1.O=C(O)CCC(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161053
Phase Preclinical
Structure Type MOL
InChI Key YCDOGOMJQBACDD-UHFFFAOYSA-N
Parent Compound CHEMBL1199748
Active Moiety CHEMBL1199748
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.7
MW (Da)
5.20
ALogP
5
HBA
0
HBD
41.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H42N4O6
MW 626.75
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
7473547 10.1021/jm00021a009 Rattus norvegicus 2
7473547 10.1021/jm00021a009 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine