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

CHEMBL6003894

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
O=C1c2cc(Cl)ccc2-n2c1nc1cnccc1c2=O

Basic Information

ChEMBL ID CHEMBL6003894
Phase Preclinical
Structure Type MOL
InChI Key LPGMEULGBAUPLT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.7
MW (Da)
1.98
ALogP
5
HBA
0
HBD
64.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H6ClN3O2
MW 283.67
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.26

Activity Summary

IC50 1 meas. best 6.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
IC50 6.26 6.26 550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Indoleamine 2,3-dioxygenase 1 IC50 = 550.0 nM 6.26 Indoleamine-2,3-Dioxygenase 1 Inhibitory Activity: Experimental method: IDO-1 ca... -

Data from ChEMBL 36 via Core Engine