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Compound Detail

CHEMBL1762455

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COc1cccc(NC(=O)N/N=C2\C(=O)Nc3ccccc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762455
Phase Preclinical
Structure Type MOL
InChI Key PPMPQSCZUHNJRR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
2.17
ALogP
4
HBA
3
HBD
91.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N4O3
MW 310.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.44

Literature References

PubMed DOI Target Context # Activities
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 1 1
21356589 10.1016/j.bmcl.2011.02.037 Human alphaherpesvirus 2 1
21356589 10.1016/j.bmcl.2011.02.037 RD 1

Data from ChEMBL 36 via Core Engine