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Compound Detail

CHEMBL3337611

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Cc1nc(Nc2ccccn2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337611
Phase Preclinical
Structure Type MOL
InChI Key RTALTPLUVZQKSO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

236.3
MW (Da)
3.08
ALogP
4
HBA
1
HBD
50.7
PSA (Ų)
0.74
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 C14H12N4
MW 236.28
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.64

Literature References

PubMed DOI Target Context # Activities
25288188 10.1016/j.bmcl.2014.09.001 Signal transducer and activator of transcription 3 1
25288188 10.1016/j.bmcl.2014.09.001 Signal transducer and activator of transcription 1-alpha/beta 1

Data from ChEMBL 36 via Core Engine