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Compound Detail

CHEMBL5440931

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CCCCCCCNC(=O)Oc1ccc2c(c1)N(Cc1ccc3ccccc3c1)/C(=C/C(C)=O)S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5440931
Phase Preclinical
Structure Type MOL
InChI Key DGBGQZCUFLNGJB-QRQIAZFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
7.44
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N2O3S
MW 488.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
38516603 10.1039/d3md00708a Cholinesterase 1

Data from ChEMBL 36 via Core Engine