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Compound Detail

CHEMBL4079238

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Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCNC3)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4079238
Phase Preclinical
Structure Type MOL
InChI Key RQKSBVJTEYGKFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
2.11
ALogP
5
HBA
3
HBD
84.2
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O2S2
MW 321.43
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.12

Literature References

PubMed DOI Target Context # Activities
29148763 10.1021/acs.jmedchem.7b01288 Cystic fibrosis transmembrane conductance regulator 1

Data from ChEMBL 36 via Core Engine