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Compound Detail

CHEMBL4778037

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Cc1ccc(C(=O)N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4778037
Phase Preclinical
Structure Type MOL
InChI Key BELVNXHUOGQYMS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.74
ALogP
6
HBA
0
HBD
75.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19FN4O3
MW 370.38
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.58

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