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Compound Detail

CHEMBL1202419

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COc1cc(Br)c(OC)c(C(=O)NCC2CCCN2)c1OC.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1202419
Phase Preclinical
Structure Type MOL
InChI Key GYHHSDNOKLPUDZ-UHFFFAOYSA-N
Parent Compound CHEMBL441353
Active Moiety CHEMBL441353
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.2
MW (Da)
1.96
ALogP
5
HBA
2
HBD
68.8
PSA (Ų)
0.80
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 C15H22BrClN2O4
MW 409.71
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
1969484 10.1021/jm00166a012 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine