| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 20 | Yes |
Popular Name: Ormetoprim Ormetoprim
Find On: PubMed — Wikipedia — Google
CAS Numbers: 6981-18-6 , [6981-18-6]
5-(4,5-dimethoxy-2-methylbenzyl)-2,4-diaminopyrimidine
5-(4,5-dimethoxy-2-methylbenzyl)-2,4-pyrimidinediamine
6981-18-6; D05273; Ormetoprim (USAN/INN)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.39 | 4.67 | -10.73 | 4 | 6 | 0 | 96 | 274.324 | 4 | ↓ |
| Mid Mid (pH 6-8) | 1.39 | 5.17 | -38.05 | 5 | 6 | 1 | 98 | 275.332 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01245o | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01245o | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2-1-E | P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.35 | Functional ≤ 10μM |
| P2RX3-1-E | P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 10000 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P2RX2_HUMAN | Q9UBL9 | P2X Purinoceptor 2, Human | 10000 | 0.35 | Functional ≤ 10μM |
| P2RX3_RAT | P49654 | P2X Purinoceptor 3, Rat | 10000 | 0.35 | Functional ≤ 10μM |
