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Compound Detail

CHEMBL4067092

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Cn1ncc2cc(C#Cc3c(F)ccc(NS(=O)(=O)c4cccc(Cl)c4)c3F)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4067092
Phase Preclinical
Structure Type MOL
InChI Key PZTDCKJOTIFNED-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

458.9
MW (Da)
4.10
ALogP
5
HBA
1
HBD
76.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H13ClF2N4O2S
MW 458.88
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
28586211 10.1021/acs.jmedchem.7b00572 Serine/threonine-protein kinase B-raf 2
28586211 10.1021/acs.jmedchem.7b00572 Mitogen-activated protein kinase kinase kinase 20 1

Data from ChEMBL 36 via Core Engine