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Compound Detail

CHEMBL415737

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O=C(O)c1cc(-c2ccncc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL415737
Phase Preclinical
Structure Type MOL
InChI Key IBXRRNLSWGROLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

250.3
MW (Da)
3.00
ALogP
3
HBA
1
HBD
63.1
PSA (Ų)
0.76
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 C15H10N2O2
MW 250.26
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.03

Literature References

PubMed DOI Target Context # Activities
25890075 10.1016/j.ejmech.2015.04.022 Hepatitis C virus 4
25890075 10.1016/j.ejmech.2015.04.022 Unchecked 2
11229766 10.1016/s0960-894x(00)00697-1 Proline--tRNA ligase, cytoplasmic 1
11229766 10.1016/s0960-894x(00)00697-1 Bifunctional glutamate/proline--tRNA ligase 1
25890075 10.1016/j.ejmech.2015.04.022 ADMET 1

Data from ChEMBL 36 via Core Engine