Compound Detail
CHEMBL311469
2-ACETYLAMINOFLUORENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL311469 |
| Name | 2-ACETYLAMINOFLUORENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZIHNRWJTSTCEX-UHFFFAOYSA-N |
7
Targets
12
Activities
2
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
223.3
MW (Da)
3.22
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.8
Ki 5 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 7.8 | 7.8 | 16.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 5.7 | 5.7 | 2017.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | IC50 | 5.67 | 5.67 | 2143.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | IC50 | 5.5 | 5.5 | 3170.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.49 | 5.49 | 3216.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.22 | 5.22 | 6053.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 5.1 | 5.1 | 7898.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 5.07 | 5.07 | 8595.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.07 | 5.07 | 8524.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL1867 | IC50 | 4.68 | 4.68 | 21061.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885861 | Rattus norvegicus | 1460 |
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 464 |
| 7265110 | 10.1021/jm00135a003 | Rattus norvegicus | 6 |
| 11323161 | 10.1016/s0378-4274(01)00306-x | ATP-binding cassette sub-family C member 2 | 3 |
| 11960367 | 10.1038/sj.onc.1205117 | ATP-dependent translocase ABCB1 | 2 |
| 7619215 | 10.1002/mc.2940130302 | Multidrug resistance protein 1a | 2 |
| 8640928 | 10.1093/carcin/17.5.1157 | ATP-dependent translocase ABCB1 | 2 |
| 12387747 | 10.1006/taap.2002.9461 | ATP-dependent translocase ABCB1 | 2 |
| 18586499 | 10.1016/j.bmc.2008.03.022 | Salmonella typhimurium | 1 |
| 21141875 | 10.1021/np100296y | Nucleic Acid | 1 |
| 20553011 | 10.1021/tx1000865 | Hepatotoxicity | 1 |
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 1 |
| 11323161 | 10.1016/s0378-4274(01)00306-x | Multidrug resistance associated protein | 1 |
| 11323161 | 10.1016/s0378-4274(01)00306-x | ATP-binding cassette sub-family C member 5 | 1 |
| 1686552 | 10.1002/mc.2940040614 | Multidrug resistance protein 1a | 1 |
| 7619215 | 10.1002/mc.2940130302 | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine