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Compound Detail

CHEMBL1568952

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O=C1c2ccccc2CN1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1568952
Phase Preclinical
Structure Type MOL
InChI Key FIWLYGQHSKZFAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

209.2
MW (Da)
2.85
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO
MW 209.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
35099959 10.1021/acs.jmedchem.1c02102 Candida albicans 4
35099959 10.1021/acs.jmedchem.1c02102 Unchecked 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine