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Compound Detail

CHEMBL5411287

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NS(=O)(=O)c1cccc(Nc2ncc(C(F)(F)F)c(N3CCN(c4ccccc4)C(=O)C3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5411287
Phase Preclinical
Structure Type MOL
InChI Key HZMWUOJWBDQYGJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.5
MW (Da)
2.74
ALogP
7
HBA
2
HBD
121.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F3N6O3S
MW 492.48
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
36719862 10.1021/acs.jmedchem.2c01886 Bone morphogenetic protein receptor type-2 1

Data from ChEMBL 36 via Core Engine