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Compound Detail

CHEMBL1812655

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N#CCCc1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812655
Phase Preclinical
Structure Type MOL
InChI Key QZBSQJAILQLCJF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

170.2
MW (Da)
2.62
ALogP
1
HBA
1
HBD
39.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H10N2
MW 170.21
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
21726069 10.1021/jm2006782 Tryptophan 2,3-dioxygenase 1
21726069 10.1021/jm2006782 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine