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Compound Detail

CHEMBL3754116

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CCCS(=O)(=O)Nc1ccc(F)c(-c2ccc3cc(NC[C@@H](C)NC(=O)OC)ncc3c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3754116
Phase Preclinical
Structure Type MOL
InChI Key MJKJTOBDFGGWCD-CQSZACIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
4.49
ALogP
6
HBA
3
HBD
109.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26F2N4O4S
MW 492.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
26739779 10.1016/j.bmcl.2015.12.086 Serine/threonine-protein kinase B-raf 1
26739779 10.1016/j.bmcl.2015.12.086 A-375 1

Data from ChEMBL 36 via Core Engine