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Compound Detail

CHEMBL4796058

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CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1COC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4796058
Phase Preclinical
Structure Type MOL
InChI Key ITEKWXIXZAPHLA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

418.6
MW (Da)
5.36
ALogP
5
HBA
2
HBD
59.6
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O3S2
MW 418.58
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
32829163 10.1016/j.ejmech.2020.112387 C-X-C chemokine receptor type 2 1
32829163 10.1016/j.ejmech.2020.112387 C-X-C chemokine receptor type 4 1

Data from ChEMBL 36 via Core Engine