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Compound Detail

CHEMBL4780171

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O=S(=O)(c1cc(F)cc(F)c1)N1CCN(Cc2csc(-c3ccco3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4780171
Phase Preclinical
Structure Type MOL
InChI Key KJYRKMRVZDAALT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
3.19
ALogP
6
HBA
0
HBD
66.7
PSA (Ų)
0.63
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 C18H17F2N3O3S2
MW 425.48
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.61

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