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Compound Detail

CHEMBL1812530

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COc1cccc2c(/C=C/c3cccnc3)c[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1812530
Phase Preclinical
Structure Type MOL
InChI Key BFLSVERIFNSRGM-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.74
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N2O
MW 250.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.32

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