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Compound Detail

CHEMBL4100358

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

Basic Information

ChEMBL ID CHEMBL4100358
Phase Preclinical
Structure Type MOL
InChI Key JAFACKKVLLVPAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
3.09
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O
MW 230.31
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.05

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