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Compound Detail

CHEMBL4168362

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CNC(=O)c1oncc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168362
Phase Preclinical
Structure Type MOL
InChI Key YFJLEZGQIRITDF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
1.70
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.81
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 C11H10N2O2
MW 202.21
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
29795752 10.1021/acsmedchemlett.7b00427 Tryptophan 2,3-dioxygenase 2
29795752 10.1021/acsmedchemlett.7b00427 SW48 1
29795752 10.1021/acsmedchemlett.7b00427 A 172 1

Data from ChEMBL 36 via Core Engine