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Compound Detail

CHEMBL1652663

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Cc1cccc(N2CCN(c3nc(N)nc4sc(-c5ccc(F)cc5)nc34)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1652663
Phase Preclinical
Structure Type MOL
InChI Key RSTBWUBZEGOJOB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.11
ALogP
7
HBA
1
HBD
71.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
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 -1.68

Literature References

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

Data from ChEMBL 36 via Core Engine