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Compound Detail

CHEMBL522880

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O=C(Nc1ccccc1CCO)c1cc2cc(Cl)ccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522880
Phase Preclinical
Structure Type MOL
InChI Key KDZLOYQRXSWXKV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.8
MW (Da)
3.61
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O2
MW 314.77
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
18434170 10.1016/j.bmc.2008.04.010 Glycogen phosphorylase, liver form 1

Data from ChEMBL 36 via Core Engine