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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, rifamycin derivatives | 4817 | 6998-60-3 |
| Dose | Unit | Route |
|---|---|---|
| 0.80 | g | O |
| 0.60 | g | P |
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 1.30 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Bocci G, Oprea TI, Benet LZ |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.951 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 11.066 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 11.614 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 4.753 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 13.170 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 21.790 | % | High | 1 |
| herg | hERG pIC50 | 4.338 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 4.111 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 4.842 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 12.100 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK2,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 49 | |||
| kinase-selectivity-class | AXL,GRK2,MAP2K6,MAP3K14,TEK | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.592 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 9.099 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 7.413 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 8.500 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 23.388 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | Moderate | 0.72 | |
| pppb | Pig plasma protein binding (% unbound) | 12.100 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.023 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 3.404 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 52.010 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 11.740 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 809.096 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Nov. 16, 2018 | FDA | COSMO TECHNOLOGIES |
None
None
None
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| Source | Code | Description |
|---|---|---|
| ATC | A07AA13 | ALIMENTARY TRACT AND METABOLISM ANTIDIARRHEALS, INTESTINAL ANTIINFLAMMATORY/ANTIINFECTIVE AGENTS INTESTINAL ANTIINFECTIVES Antibiotics |
| ATC | D06AX15 | DERMATOLOGICALS ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE ANTIBIOTICS FOR TOPICAL USE Other antibiotics for topical use |
| ATC | J04AB03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIMYCOBACTERIALS DRUGS FOR TREATMENT OF TUBERCULOSIS Antibiotics |
| ATC | S01AA16 | SENSORY ORGANS OPHTHALMOLOGICALS ANTIINFECTIVES Antibiotics |
| ATC | S02AA12 | SENSORY ORGANS OTOLOGICALS ANTIINFECTIVES Antiinfectives |
| FDA CS | M0019113 | Rifamycins |
| FDA EPC | N0000175500 | Rifamycin Antibacterial |
| MeSH PA | D018501 | Antirheumatic Agents |
| CHEBI has role | CHEBI:33231 | antitubercular agent |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:53784 | antispasmodic drug |
| CHEBI has role | CHEBI:66981 | ophthalmology drug |
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Traveler's diarrhea | indication | 11840006 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 2.94 | acidic |
| pKa2 | 7.75 | acidic |
| pKa3 | 8.72 | acidic |
| pKa4 | 11.2 | acidic |
| pKa5 | 12.55 | acidic |
None
| Formulation strength | Trade name | Applicant | Application number | Approval date | Type | Dose form | Route | Exclusivity date | Description |
|---|---|---|---|---|---|---|---|---|---|
| EQ 194MG BASE | AEMCOLO | COSMO TECHNOLOGIES | N210910 | Nov. 16, 2018 | DISCN | TABLET, DELAYED RELEASE | ORAL | Nov. 16, 2023 | NEW CHEMICAL ENTITY |
| EQ 194MG BASE | AEMCOLO | COSMO TECHNOLOGIES | N210910 | Nov. 16, 2018 | DISCN | TABLET, DELAYED RELEASE | ORAL | Nov. 16, 2028 | GENERATING ANTIBIOTIC INCENTIVES NOW |
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Bile salt export pump | Transporter | IC50 | 5.20 | CHEMBL | |||||
| Solute carrier organic anion transporter family member 1B1 | Transporter | INHIBITOR | Ki | 5.70 | IUPHAR | ||||
| Solute carrier organic anion transporter family member 1A2 | Transporter | INHIBITOR | Ki | 4.96 | IUPHAR | ||||
| DNA-directed RNA polymerase subunit beta | Enzyme | INHIBITOR | UNKNOWN | DRUG LABEL | |||||
| Bile salt export pump | Transporter | IC50 | 5.51 | CHEMBL |
| ID | Source |
|---|---|
| DU69T8ZZPA | UNII |
| D02549 | KEGG_DRUG |
| 14897-39-3 | SECONDARY_CAS_RN |
| 4038081 | VANDF |
| C0073371 | UMLSCUI |
| CHEBI:26580 | CHEBI |
| RFV | PDB_CHEM_ID |
| CHEMBL437765 | ChEMBL_ID |
| CHEMBL2105680 | ChEMBL_ID |
| 6324616 | PUBCHEM_CID |
| DB11753 | DRUGBANK_ID |
| 2293 | INN_ID |
| C023808 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2106357 | RXNORM |
| 299330 | MMSL |
| 33895 | MMSL |
| d08756 | MMSL |
| 006067 | NDDF |
| 006068 | NDDF |
| 768973004 | SNOMEDCT_US |
| 768974005 | SNOMEDCT_US |
| 783681005 | SNOMEDCT_US |
| 4570 | IUPHAR_LIGAND_ID |
None