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Compound Detail

CHEMBL1713236

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O=C1c2ccccc2CN1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1713236
Phase Preclinical
Structure Type MOL
InChI Key SCSQXWFIZNVBID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
2.84
ALogP
1
HBA
0
HBD
20.3
PSA (Ų)
0.77
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 C15H13NO
MW 223.28
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.65

Literature References

PubMed DOI Target Context # Activities
35099959 10.1021/acs.jmedchem.1c02102 Candida albicans 4
35099959 10.1021/acs.jmedchem.1c02102 Unchecked 2

Data from ChEMBL 36 via Core Engine