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Compound Detail

CHEMBL143865

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CCC1CN2C(C)=Nc3c(C)nn(C)c3C2=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL143865
Phase Preclinical
Structure Type MOL
InChI Key YFAVYALYCRERKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

231.3
MW (Da)
1.63
ALogP
5
HBA
0
HBD
45.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N5
MW 231.30
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.66

Literature References

PubMed DOI Target Context # Activities
2892936 10.1021/jm00397a032 Rattus norvegicus 4
2892936 10.1021/jm00397a032 Mus musculus 2
2892936 10.1021/jm00397a032 Monkey 1
2892936 10.1021/jm00397a032 D(2) dopamine receptor 1
2892936 10.1021/jm00397a032 D(1A) dopamine receptor 1
2892936 10.1021/jm00397a032 Muscarinic acetylcholine receptor 1
2892936 10.1021/jm00397a032 Adrenergic receptor alpha-1 1
2892936 10.1021/jm00397a032 Adrenergic receptor alpha-2 1
2892936 10.1021/jm00397a032 Beta-1 adrenergic receptor 1
2892936 10.1021/jm00397a032 Beta-2 adrenergic receptor 1
2892936 10.1021/jm00397a032 Serotonin 1 (5-HT1) receptor 1
2892936 10.1021/jm00397a032 Serotonin 2 (5-HT2) receptor 1
2892936 10.1021/jm00397a032 Adenosine receptor A1 1
2892936 10.1021/jm00397a032 Unchecked 1
2892936 10.1021/jm00397a032 Voltage-gated L-type calcium channel 1

Data from ChEMBL 36 via Core Engine