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Compound Detail

CHEMBL4748304

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Cc1ccc([C@H](CCO)n2cc(-c3ccnc4ccccc34)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4748304
Phase Preclinical
Structure Type MOL
InChI Key XJYWVAXAXKALKJ-NRFANRHFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

344.4
MW (Da)
3.77
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N4O
MW 344.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.76

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