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Compound Detail

CHEMBL237424

N-BENZYL-4-METHYLANILINE
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Cc1ccc(NCc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL237424
Name N-BENZYL-4-METHYLANILINE
Phase Preclinical
Structure Type MOL
InChI Key KEVOWRWHMCBERP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

197.3
MW (Da)
3.61
ALogP
1
HBA
1
HBD
12.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N
MW 197.28
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.19

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.28 5.28 5252.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 5252.0 nM 5.28 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -

Literature References

PubMed DOI Target Context # Activities
17870540 10.1016/j.bmc.2007.08.048 L929 2
18316193 10.1016/j.bmc.2008.02.031 LNCaP 2
- 10.1007/s00044-013-0493-8 Acetylcholinesterase 2
18316193 10.1016/j.bmc.2008.02.031 PC-3 1
- 10.1007/s00044-013-0493-8 Cholinesterase 1

Data from ChEMBL 36 via Core Engine