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Compound Detail

CHEMBL4799102

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CCOC(=O)c1c(NC(=S)Nc2cnccn2)sc2c1C(C)CCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4799102
Phase Preclinical
Structure Type MOL
InChI Key LIUFLHFLOUOUDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.96
ALogP
6
HBA
2
HBD
76.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O2S2
MW 376.51
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.54

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