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Compound Detail

CHEMBL50570

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COC(=O)[C@H](c1ccccc1)[C@@H]1CCCCN1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL50570
Phase Preclinical
Structure Type MOL
InChI Key JUMYIBMBTDDLNG-JHEYCYPBSA-N
Parent Compound CHEMBL1178933
Active Moiety CHEMBL1178933
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
2.09
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H20ClNO2
MW 269.77
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
15026075 10.1016/j.bmcl.2003.12.097 Dopamine receptor 1
15026075 10.1016/j.bmcl.2003.12.097 Unchecked 1

Data from ChEMBL 36 via Core Engine