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Compound Detail

CHEMBL3318366

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Clc1ccc(Cn2ccnc2)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3318366
Phase Preclinical
Structure Type MOL
InChI Key OPCJKENNKLSJMC-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

227.1
MW (Da)
3.24
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.77
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 C10H8Cl2N2
MW 227.09
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25036789 10.1016/j.ejmech.2014.06.078 Indoleamine 2,3-dioxygenase 1 1
25036789 10.1016/j.ejmech.2014.06.078 No relevant target 1

Data from ChEMBL 36 via Core Engine