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Compound Detail

CHEMBL1221510

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CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC3)c(Cc3ccccc3C(F)(F)F)sc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1221510
Phase Preclinical
Structure Type MOL
InChI Key HJKOMDGDQNVWIO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
3.86
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22F3N3O3S
MW 465.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.46

Literature References

PubMed DOI Target Context # Activities
16370372 10.1038/nchembio744 Monocarboxylate transporter 1 3
16370372 10.1038/nchembio744 PBMC 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine