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Compound Detail

CHEMBL4541346

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COc1cccc(OCCCC(=O)Nc2ncc(C)s2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541346
Phase Preclinical
Structure Type MOL
InChI Key CJFYDXIHBYFYFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
3.26
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O3S
MW 306.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
30973727 10.1021/acs.jmedchem.9b00462 Protein Tat 1
30973727 10.1021/acs.jmedchem.9b00462 HEK293 1

Data from ChEMBL 36 via Core Engine