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Compound Detail

CHEMBL3251783

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CC(C)N[C@H](c1ccccc1)[C@@H](O)COc1ccccc1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3251783
Phase Preclinical
Structure Type MOL
InChI Key SSYBFFVUAGGHNW-CJRXIRLBSA-N
Parent Compound CHEMBL3303159
Active Moiety CHEMBL3303159
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.17
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H24ClNO2
MW 321.85
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.30

Literature References

PubMed DOI Target Context # Activities
27636 10.1021/jm00205a016 Felis catus 2
27636 10.1021/jm00205a016 No relevant target 1

Data from ChEMBL 36 via Core Engine