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Compound Detail

CHEMBL65447

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c1ccc(-c2cnc(Nc3ccc(-c4cnco4)cc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65447
Phase Preclinical
Structure Type MOL
InChI Key BCBLELQUTNNMQM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
4.74
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.59
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 C18H13N3O2
MW 303.32
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
12781195 10.1016/s0960-894x(03)00258-0 Inosine-5'-monophosphate dehydrogenase 2 1

Data from ChEMBL 36 via Core Engine