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Compound Detail

CHEMBL1652659

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Nc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1652659
Phase Preclinical
Structure Type MOL
InChI Key YHSAVZQAAIOMFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

470.6
MW (Da)
2.99
ALogP
8
HBA
1
HBD
105.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19FN6O2S2
MW 470.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.91

Literature References

PubMed DOI Target Context # Activities
21171614 10.1021/jm101254z Lymphocyte 1

Data from ChEMBL 36 via Core Engine