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Compound Detail

CHEMBL1760948

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COc1ccc2c(CN(C)C)cn(CCNC(C)=O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760948
Phase Preclinical
Structure Type MOL
InChI Key FTXCRBLIKHPLLW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
1.24
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H22N4O2
MW 290.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.71

Literature References

PubMed DOI Target Context # Activities
21420861 10.1016/j.bmcl.2011.02.097 Melatonin receptor type 1A 1
21420861 10.1016/j.bmcl.2011.02.097 Melatonin receptor type 1B 1

Data from ChEMBL 36 via Core Engine