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Compound Detail

CHEMBL1807389

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O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)n[nH]1)c1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1807389
Phase Preclinical
Structure Type MOL
InChI Key JUAYSOPAKGFETC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.5
MW (Da)
5.15
ALogP
4
HBA
3
HBD
104.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17F3N4O3S
MW 486.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
21708468 10.1016/j.bmc.2011.06.016 Receptor-type tyrosine-protein kinase FLT3 1
21708468 10.1016/j.bmc.2011.06.016 MOLM-13 1

Data from ChEMBL 36 via Core Engine