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Compound Detail

CHEMBL2347174

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CCCc1c[nH]c2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2347174
Phase Preclinical
Structure Type MOL
InChI Key ZBQKBFQDMGBNRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

177.2
MW (Da)
3.26
ALogP
0
HBA
1
HBD
15.8
PSA (Ų)
0.72
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 C11H12FN
MW 177.22
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
23581551 10.1021/jm4001538 Myeloperoxidase 2
23581551 10.1021/jm4001538 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine