Compound Detail
CHEMBL460
MOLINDONE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL460 |
| Name | MOLINDONE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | KLPWJLBORRMFGK-UHFFFAOYSA-N |
| Therapeutic | ✓ Yes |
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names
2
Indications
Molecular Properties
276.4
MW (Da)
1.96
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1974 |
| Availability | Prescription |
| Chirality | Racemic |
Indications
Psychotic Disorders Attention Deficit Disorder with Hyperactivity
ATC Classification
N05AE02
molindone
Level 1: NERVOUS SYSTEM
Level 2: PSYCHOLEPTICS
Activity Summary
Ki 7 meas. best 7.48
Kd 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.48 | 7.48 | 33.1 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 6.58 | 6.58 | 265.0 | 1 |
| Rattus norvegicus CHEMBL376 | Kd | 6.18 | 6.18 | 660.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.85 | 5.85 | 1412.5 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 33.11 | nM | 7.48 | Inhibition constant for in vitro inhibition of [3H]spiperone binding to striatal... | - |
| D(2) dopamine receptor | Ki | = | 33.11 | nM | 7.48 | Tested in vitro for its ability to inhibit [3H]spiperone binding to Dopamine rec... | - |
| 5-hydroxytryptamine receptor 7 | Ki | = | 265.0 | nM | 6.58 | Binding affinity towards human 5-hydroxytryptamine 7 receptor | 12825922 |
| Rattus norvegicus | Kd | = | 660.69 | nM | 6.18 | Competitive antagonism against serotonin-induced contractions in rat aorta ring ... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1412.54 | nM | 5.85 | Inhibition constant for in vitro inhibition of [3H]ketanserin binding to rat fro... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1412.54 | nM | 5.85 | Tested in vitro for its ability to inhibit [3H]ketanserin binding to 5-hydroxytr... | - |
| D(1A) dopamine receptor | Ki | = | 1584.89 | nM | 5.8 | Inhibition constant for in vitro inhibition of [3H]-SCH- 23390 binding to striat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22194678 | 10.1371/journal.pcbi.1002310 | Hepatotoxicity | 14 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2B | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | 5-hydroxytryptamine receptor 2A | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | D(1A) dopamine receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Mu-type opioid receptor | 2 |
| 6116805 | 10.1021/jm00141a002 | Rattus norvegicus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Androgen receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
| - | 10.1016/S0960-894X(97)00131-5 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| 12825922 | 10.1021/jm030030n | 5-hydroxytryptamine receptor 7 | 1 |
| - | 10.1016/0960-894X(95)00076-6 | Rattus norvegicus | 1 |
| - | 10.1016/0960-894X(95)00076-6 | Dopamine D2 receptor and serotonin 2a receptor | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine