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Compound Detail

CHEMBL4754646

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Cc1nc(/C=C/C(=O)Oc2ccc3c(=O)c(-c4c(F)cccc4Cl)c(C)oc3c2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4754646
Phase Preclinical
Structure Type MOL
InChI Key CSWPXSLSOFLSSI-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.9
MW (Da)
5.94
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.22
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClFNO4S
MW 455.89
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.74

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