3-(4-amino-2-bromopyrimidin-5-yl)-1H-indol-4-ol
AlkaPlorer ID: AK159468
Synonym: None
IUPAC Name: 3-(4-amino-2-bromopyrimidin-5-yl)-1H-indol-4-ol
Structure
SMILES: N=C1NC(Br)=NC=C1C1=CNC2=CC=CC(O)=C12
InChI: InChI=1S/C12H9BrN4O/c13-12-16-5-7(11(14)17-12)6-4-15-8-2-1-3-9(18)10(6)8/h1-5,15,18H,(H2,14,16,17)
InChIKey: CXLPBBKWDIYIPK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Chondropsidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 305.1350000000001
TPSA？: 88.55
MolLogP？: 2.505570000000001
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 219000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Dopamine D5 receptor | Ki | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Dopamine transporter | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Muscarinic acetylcholine receptor M5 | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 1a (5-HT1a) receptor | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 1d (5-HT1d) receptor | Ki | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 2b (5-HT2b) receptor | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 2c (5-HT2c) receptor | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 5a (5-HT5a) receptor | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Homo sapiens | Serotonin 7 (5-HT7) receptor | IC50 | 10000.0 | nM | 10.1016/j.bmc.2011.08.033 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 33000.0 | nM | 10.1016/j.bmc.2011.08.033 |