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Compound Detail

CHEMBL5174761

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CCCCc1sc(C2CCN(CCCCc3cn(CC)c4ccc(C#N)cc34)CC2)nc1-c1ccc(Oc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5174761
Phase Preclinical
Structure Type MOL
InChI Key NSENBDCCFCVWNF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

651.3
MW (Da)
10.65
ALogP
6
HBA
0
HBD
54.1
PSA (Ų)
0.12
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H43ClN4OS
MW 651.32
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
35430560 10.1016/j.ejmech.2022.114347 Advanced glycosylation end product-specific receptor 1
35430560 10.1016/j.ejmech.2022.114347 Sodium-dependent serotonin transporter 1

Data from ChEMBL 36 via Core Engine