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Compound Detail

CHEMBL5196372

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CCn1cc(CCCCN2CCC(c3nc(-c4ccc(Oc5ccc(Cl)cc5)cc4)c(C)s3)CC2)c2cc(C#N)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196372
Phase Preclinical
Structure Type MOL
InChI Key RGMQTGAIHQQMRX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

609.2
MW (Da)
9.61
ALogP
6
HBA
0
HBD
54.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H37ClN4OS
MW 609.24
Aromatic Rings 5
Heavy Atoms 43
NP-Likeness -1.46

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