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Compound Detail

CHEMBL3144764

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CCn1[nH]c(C)c(C(=N)c2cccc(Cl)c2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3144764
Phase Preclinical
Structure Type MOL
InChI Key UUXXSEMFXKVEAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

263.7
MW (Da)
2.57
ALogP
3
HBA
2
HBD
61.6
PSA (Ų)
0.82
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 C13H14ClN3O
MW 263.73
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.85

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