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Compound Detail

CHEMBL1374568

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c1cc(-c2ccncc2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1374568
Phase Preclinical
Structure Type MOL
InChI Key MWVTWFVJZLCBMC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
2.14
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H8N2
MW 156.19
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.53

Literature References

PubMed DOI Target Context # Activities
22616902 10.1021/jm300260v Indoleamine 2,3-dioxygenase 1 1
- 10.1039/C2MD20096A Unchecked 1

Data from ChEMBL 36 via Core Engine