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Compound Detail

CHEMBL348508

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CCCc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL348508
Phase Preclinical
Structure Type MOL
InChI Key FBLJZPQLNMVEMR-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
2.52
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2
MW 160.22
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.54

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
28512025 10.1016/j.bmcl.2017.05.017 Rattus norvegicus 8
7097715 10.1021/jm00348a003 Cytochrome P450 1A1 3
7120277 10.1021/jm00350a002 Cytochrome P450 2B1 1
7120277 10.1021/jm00350a002 No relevant target 1
7097715 10.1021/jm00348a003 Cytochrome P450 2B1 1
7097715 10.1021/jm00348a003 No relevant target 1

Data from ChEMBL 36 via Core Engine