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Compound Detail

CHEMBL4167857

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Nc1cnnn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4167857
Phase Preclinical
Structure Type MOL
InChI Key YDXSWXCCLCCENV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

160.2
MW (Da)
0.85
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H8N4
MW 160.18
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
29795752 10.1021/acsmedchemlett.7b00427 Tryptophan 2,3-dioxygenase 2
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
29795752 10.1021/acsmedchemlett.7b00427 SW48 1
29795752 10.1021/acsmedchemlett.7b00427 A 172 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine