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Compound Detail

CHEMBL4091748

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CCCCN(CC(=O)NCc1ccccc1)C(=O)CCCCCn1ccnc1/C=N/O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091748
Phase Preclinical
Structure Type MOL
InChI Key RGPJVXLCNKNMEC-NLRVBDNBSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.6
MW (Da)
3.20
ALogP
6
HBA
2
HBD
99.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H33N5O3
MW 427.55
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.42

Activity Summary

Kd 3 meas.

Literature References

PubMed DOI Target Context # Activities
29091431 10.1021/acs.jmedchem.7b01083 Acetylcholinesterase 11
29091431 10.1021/acs.jmedchem.7b01083 Rattus norvegicus 11

Data from ChEMBL 36 via Core Engine