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Compound Detail

CHEMBL303714

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NCc1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL303714
Phase Preclinical
Structure Type MOL
InChI Key UCOSRTUSVXHIMK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

147.2
MW (Da)
1.02
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.63
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 C8H9N3
MW 147.18
Aromatic Rings 2
Heavy Atoms 11
NP-Likeness -1.37

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-005-0125-z 5-hydroxytryptamine receptor 2B 3
15214773 10.1021/jm040031v Matrix metalloproteinase-9 1
7120277 10.1021/jm00350a002 Cytochrome P450 2B1 1
7120277 10.1021/jm00350a002 No relevant target 1
12127537 10.1016/s0960-894x(02)00365-7 Matrix metalloproteinase-9 1
- 10.1007/s00044-005-0125-z 5-hydroxytryptamine receptor 2C 1
- 10.1007/s00044-005-0125-z 5-hydroxytryptamine receptor 2A 1
- 10.6019/CHEMBL3301361 No relevant target 1
36105338 10.1021/acsmedchemlett.2c00256 Glutaminyl-peptide cyclotransferase 1

Data from ChEMBL 36 via Core Engine