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Compound Detail

CHEMBL4788927

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CC(C)(C)OC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(Cc1ccccc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788927
Phase Preclinical
Structure Type MOL
InChI Key PWPGCZPXAMTFIR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

479.7
MW (Da)
6.07
ALogP
5
HBA
2
HBD
53.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29N3O2S2
MW 479.67
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.74

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