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Compound Detail

CHEMBL1812542

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N#C/C=C\c1c[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812542
Phase Preclinical
Structure Type MOL
InChI Key GQCABHQDRZQIOP-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

168.2
MW (Da)
2.70
ALogP
1
HBA
1
HBD
39.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H8N2
MW 168.20
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.07

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