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Compound Detail

CHEMBL179214

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Nc1ccc2c(c1)Oc1ncc(N)cc1C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL179214
Phase Preclinical
Structure Type MOL
InChI Key JTUKHGFUDMCSFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
1.60
ALogP
5
HBA
3
HBD
103.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N4O2
MW 242.24
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.45

Literature References

PubMed DOI Target Context # Activities
15633995 10.1021/jm0400101 Internal ribosome entry site (IRES) 1

Data from ChEMBL 36 via Core Engine