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Compound Detail

CHEMBL4785912

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O=C(Nc1ccccc1)c1c(NC(=S)Nc2ccc(F)cc2)sc2c1CCOC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4785912
Phase Preclinical
Structure Type MOL
InChI Key NWQSLHBVUCLNLF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
5.02
ALogP
4
HBA
3
HBD
62.4
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18FN3O2S2
MW 427.53
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.03

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