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Compound Detail

CHEMBL4786254

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CC1CCCc2sc(NC(=S)Nc3ccc(N4CCN(C)CC4)cc3)c(C(=O)OC(C)(C)C)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4786254
Phase Preclinical
Structure Type MOL
InChI Key GMOKSFVJZZUMGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

500.7
MW (Da)
5.70
ALogP
6
HBA
2
HBD
56.8
PSA (Ų)
0.41
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N4O2S2
MW 500.73
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness -1.45

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