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Compound Detail

CHEMBL4099486

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COCCN(CC(=O)NC(C)C)C(=O)CCCCCn1ccnc1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099486
Phase Preclinical
Structure Type MOL
InChI Key NKPBFOFMXJWMQV-DEDYPNTBSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

381.5
MW (Da)
1.25
ALogP
7
HBA
2
HBD
109.0
PSA (Ų)
0.23
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H31N5O4
MW 381.48
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.59

Activity Summary

Kd 2 meas.

Literature References

PubMed DOI Target Context # Activities
29091431 10.1021/acs.jmedchem.7b01083 Acetylcholinesterase 8

Data from ChEMBL 36 via Core Engine