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Compound Detail

CHEMBL4173934

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C[C@H]1NCCc2c1cc1c([nH]c3ccccc31)c2CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4173934
Phase Preclinical
Structure Type MOL
InChI Key QEYDVFBZKMXTAR-SNVBAGLBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
3.02
ALogP
2
HBA
3
HBD
48.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O
MW 266.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness 1.20

Literature References

PubMed DOI Target Context # Activities
29664292 10.1021/acs.jnatprod.7b00958 Unchecked 1
29664292 10.1021/acs.jnatprod.7b00958 HEK293 1
29664292 10.1021/acs.jnatprod.7b00958 Quinone oxidoreductase 1

Data from ChEMBL 36 via Core Engine