Compound Detail
CHEMBL522
BENZYLAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL522 |
| Name | BENZYLAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGQKYBSKWIADBV-UHFFFAOYSA-N |
4
Targets
10
Activities
2
Assay Types
0
PK Parameters
20
Publications
1
Known Names
Molecular Properties
107.2
MW (Da)
1.15
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 4.7
IC50 2 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Replicase polyprotein 1ab CHEMBL4523582 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2093864 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
| Lysyl oxidase homolog 2 CHEMBL3714029 | IC50 | 4.19 | 4.19 | 64700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Replicase polyprotein 1ab | IC50 | = | 61.0 | nM | 7.21 | Inhibition of SARS-Cov-2 main protease using fluorogenic substrate [5-FAM]-AVLQS... | 38516605 |
| Adrenergic receptor alpha-2 | Ki | = | 20000.0 | nM | 4.7 | In vitro for binding affinity against Alpha-2 adrenergic receptor by radioligand... | 8784452 |
| Unchecked | Ki | = | 20000.0 | nM | 4.7 | Displacement of [3H]clonidine from adrenergic alpha-1 receptor in Sprague-Dawley... | 18024134 |
| Lysyl oxidase homolog 2 | IC50 | = | 64700.0 | nM | 4.19 | Inhibition of full length recombinant human LOXL2 expressed in CHO cells assesse... | 28435530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369390 | 10.1021/jm0499211 | Unchecked | 9 |
| 10476872 | 10.1016/s0960-894x(99)00395-9 | ADMET | 5 |
| 20451395 | 10.1016/j.bmc.2010.03.079 | Unchecked | 4 |
| 17034126 | 10.1021/jm051076e | Amine oxidase [copper-containing] 3 | 4 |
| 8487265 | 10.1021/jm00061a020 | Amine oxidase [flavin-containing] B | 4 |
| 2258899 | 10.1021/jm00174a007 | Monoamine oxidase | 3 |
| 894678 | 10.1021/jm00218a017 | No relevant target | 3 |
| 8151621 | 10.1021/jm00033a012 | Amine oxidase [flavin-containing] B | 3 |
| 18052116 | 10.1021/jm701207m | DNA | 3 |
| 2258899 | 10.1021/jm00174a007 | Amine oxidase [flavin-containing] A | 2 |
| 17034126 | 10.1021/jm051076e | Adipocyte | 2 |
| 15689151 | 10.1021/jm0408316 | Amine oxidase [copper-containing] 3 | 2 |
| 15689151 | 10.1021/jm0408316 | Diamine oxidase [copper-containing] | 2 |
| 18024134 | 10.1016/j.bmc.2007.08.066 | Unchecked | 2 |
| 3339613 | 10.1021/jm00397a029 | Phenylethanolamine N-methyltransferase | 2 |
| 8487265 | 10.1021/jm00061a020 | Amine oxidase [flavin-containing] A | 2 |
| 19345586 | 10.1016/j.bmc.2009.03.025 | Glutamate NMDA receptor | 2 |
| 22128803 | 10.1021/jm201023g | Mycobacterium tuberculosis | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 38516605 | 10.1039/d3md00719g | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine