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Compound Detail

CHEMBL4092619

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O=C(NCC1CC1)c1cc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092619
Phase Preclinical
Structure Type MOL
InChI Key HVPPFHLGPGKQQS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
2.31
ALogP
1
HBA
2
HBD
44.9
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 C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
28186762 10.1021/acs.jmedchem.6b01688 D(2) dopamine receptor 3
28186762 10.1021/acs.jmedchem.6b01688 D(3) dopamine receptor 3
28186762 10.1021/acs.jmedchem.6b01688 Unchecked 1

Data from ChEMBL 36 via Core Engine