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Compound Detail

CHEMBL3337627

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Cc1[nH]c(Nc2nc(C)c3cc4c(cc3n2)OCO4)nc(=O)c1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3337627
Phase Preclinical
Structure Type MOL
InChI Key FRHDYTGKPIRNTH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

401.4
MW (Da)
3.39
ALogP
7
HBA
2
HBD
102.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N5O3
MW 401.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.89

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