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Compound Detail

CHEMBL493579

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CNC(=O)c1ccc2occ(CCNC(=O)C3CCCC3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493579
Phase Preclinical
Structure Type MOL
InChI Key NGXHGMQVPFQMFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.64
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N2O3
MW 314.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
18372181 10.1016/j.bmc.2008.03.036 Melatonin receptor type 1A 1
18372181 10.1016/j.bmc.2008.03.036 Melatonin receptor type 1B 1
18372181 10.1016/j.bmc.2008.03.036 Unchecked 1

Data from ChEMBL 36 via Core Engine