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Compound Detail

CHEMBL4644769

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Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1CNS(C)(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644769
Phase Preclinical
Structure Type MOL
InChI Key XRNFWBFMZMHFDQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.5
MW (Da)
2.69
ALogP
3
HBA
2
HBD
65.2
PSA (Ų)
0.87
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 C18H27N3O2S
MW 349.50
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.08

Literature References

PubMed DOI Target Context # Activities
32073845 10.1021/acs.jmedchem.9b01870 Complement factor B 1

Data from ChEMBL 36 via Core Engine