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Compound Detail

CHEMBL3144620

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CCn1[nH]c(C)c(C(=N)c2ccccc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144620
Phase Preclinical
Structure Type MOL
InChI Key KPNLZQWEHKUZFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
1.92
ALogP
3
HBA
2
HBD
61.6
PSA (Ų)
0.78
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 C13H15N3O
MW 229.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
2888897 10.1021/jm00393a021 Mus musculus 2
2888897 10.1021/jm00393a021 D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine