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Compound Detail

CHEMBL364352

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COc1ccc2c(c1OC)CCN(C(C)=O)C2CC(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364352
Phase Preclinical
Structure Type MOL
InChI Key QSKLABQGWXYTGC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

415.5
MW (Da)
5.37
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29NO3
MW 415.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.21

Literature References

PubMed DOI Target Context # Activities
15501061 10.1016/j.bmcl.2004.09.024 Melatonin receptor type 1B 1
15501061 10.1016/j.bmcl.2004.09.024 Melatonin receptor type 1A 1

Data from ChEMBL 36 via Core Engine