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Compound Detail

CHEMBL5172714

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CCCCc1nc(C2CCN(CCc3c[nH]c4ccc(C#N)cc34)CC2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5172714
Phase Preclinical
Structure Type MOL
InChI Key NSTCHFNFLIONCS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

578.2
MW (Da)
8.44
ALogP
5
HBA
1
HBD
69.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H36ClN5O
MW 578.16
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.18

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