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Compound Detail

CHEMBL4591612

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Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NCc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4591612
Phase Preclinical
Structure Type MOL
InChI Key RTKLAFFNORRYTO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.9
MW (Da)
5.72
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.60
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 C19H14ClF3N2OS
MW 410.85
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.29

Literature References

PubMed DOI Target Context # Activities
30455146 10.1016/j.bmcl.2018.11.015 C-C chemokine receptor type 1 1

Data from ChEMBL 36 via Core Engine