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Compound Detail

CHEMBL1652662

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Nc1nc(N2CCN(Cc3ccccc3)CC2)c2nc(-c3ccc(F)cc3)sc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1652662
Phase Preclinical
Structure Type MOL
InChI Key SHDNTOJIAPVOQC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
3.80
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.54
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 C22H21FN6S
MW 420.52
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.64

Literature References

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

Data from ChEMBL 36 via Core Engine