Drug Information| Drug ID: | NPD9364 |
| Drug Name: | Pyridoxal Phosphate |
| Molecular Formula: | C8H10NO6P |
| Canonical SMILES: | O=Cc1c(COP(=O)(O)O)cnc(c1O)C |
| Standard InCHI: | "InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)" |
| Standard InCHIKey: | NGVDGCNFYWLIFO-UHFFFAOYSA-N |
| Max Developmental Stage: | Phase 3 |
| Max Developmental Stage Source: | ChEMBL |
Structural Similarity Between NPASS Natural Products and NPD9364Similarity is measured using the Tanimoto coefficient (Tc) , which compares the binary fingerprints of two molecules. Tc is calculated as the intersection divided by the union of '1' bits in the fingerprints, ranging from 0 to 1, with 1 indicating highest similarity.
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
Similar Natural Products High Similarity: Tc>=0.85; Intermediate Similarity: 0.7 <= Tc < 0.85; Remote Similarity: 0.5 <= Tc < 0.7
| Similarity Level | Similarity Score | Natural Product ID |
|---|---|---|
| High Similarity | 1.0 | NPC36498 |
| High Similarity | 1.0 | NPC612052 |
| Intermediate Similarity | 0.7561 | NPC579099 |
| Intermediate Similarity | 0.7561 | NPC608332 |
| Intermediate Similarity | 0.7045 | NPC256788 |
| Intermediate Similarity | 0.7045 | NPC256828 |
| Remote Similarity | 0.5227 | NPC52831 |
| Remote Similarity | 0.5227 | NPC607888 |
| Remote Similarity | 0.5111 | NPC325705 |
| Remote Similarity | 0.5106 | NPC582641 |
| Remote Similarity | 0.5102 | NPC320222 |
| TTD | DNC001499; DAP000804 |
| DrugBank | DB00114 |
| ChEMBL | CHEMBL82202 |
| IUPHAR/BPS | |
| PharmaGKB | PA164749650 |
| KEGG Drug | D00006 |
| PubChem CID | 1051 |
| ChEBI | 18405 |
| CAS Number | 54-47-7 |
| Molecular Weight | 247.02 |
| ALogP | -0.5977 |
| MLogP | 1.46 |
| XLogP | -1.235 |
| HDA | 6 |
| HBD | 3 |
| Rotatable Bonds | 8 |
| TPSA | 126.76 |
| RO5 Violation | 0 |