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Compound Detail

CHEMBL5422462

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Cc1nc(OC(F)F)ccc1C(C)N1CCc2c(C#N)c(Cl)nc(NCC#N)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422462
Phase Preclinical
Structure Type MOL
InChI Key ROHREYIOOKLOGX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

432.9
MW (Da)
3.97
ALogP
7
HBA
1
HBD
97.9
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19ClF2N6O
MW 432.86
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.57

Literature References

PubMed DOI Target Context # Activities
37428122 10.1021/acs.jmedchem.3c00179 Na(+)/citrate cotransporter 1
37428122 10.1021/acs.jmedchem.3c00179 Na(+)/dicarboxylate cotransporter 3 1

Data from ChEMBL 36 via Core Engine