Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4168565

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1nncn1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4168565
Phase Preclinical
Structure Type MOL
InChI Key IDNHWGLZSOOKAT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
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 -1.77

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