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Compound Detail

CHEMBL2296099

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CCc1ccc(NCc2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2296099
Phase Preclinical
Structure Type MOL
InChI Key RANBQUSKDOSQIN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.3
MW (Da)
4.17
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N
MW 225.34
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-013-0493-8 Acetylcholinesterase 2
- 10.1007/s00044-013-0493-8 Cholinesterase 1

Data from ChEMBL 36 via Core Engine