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Compound Detail

CHEMBL1652656

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CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2nc(N)nc3sc(-c4ccc(F)cc4)nc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1652656
Phase Preclinical
Structure Type MOL
InChI Key ZFJMLJXZMDIEJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

527.0
MW (Da)
4.63
ALogP
8
HBA
1
HBD
97.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24ClFN6O2S
MW 527.03
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.58

Literature References

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

Data from ChEMBL 36 via Core Engine