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Compound Detail

CHEMBL4780476

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O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780476
Phase Preclinical
Structure Type MOL
InChI Key WDMTYZSBIJNIGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.9
MW (Da)
4.03
ALogP
6
HBA
1
HBD
101.5
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H18ClN3O5
MW 475.89
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.34

Literature References

PubMed DOI Target Context # Activities
32977721 10.1021/acs.jmedchem.0c00964 Orexin/Hypocretin receptor type 1 1
32977721 10.1021/acs.jmedchem.0c00964 Unchecked 1

Data from ChEMBL 36 via Core Engine