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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, produced by Streptomyces strains | 1052 | 134-36-1 |
None
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 35 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.499 | High | 0.87 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 27.040 | High | 0.87 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 4.656 | 10^-6 cm/s | High | 0.87 |
| dh-clint | Dog hepatocyte intrinsic clearance | 18.578 | uL/min/10^6 cells | High | 0.87 |
| dppb | Dog plasma protein binding (% unbound) | 22.070 | % | High | 0.87 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 29.040 | % | High | 0.87 |
| herg | hERG pIC50 | 4.394 | pIC50 | High | 0.87 |
| hh-clint | Human hepatocyte intrinsic clearance | 6.237 | uL/min/10^6 cells | High | 0.87 |
| hlm-clint | Human liver microsomal intrinsic clearance | 68.549 | uL/min/mg protein | High | 0.87 |
| hppb | Human plasma protein binding (% unbound) | 25.830 | % | High | 0.87 |
| kinase-safety-class | ACVR2B,AXL,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK7,NTRK2,PDK1,PDK2,PRKDC,TEK | 17 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 4.102 | High | 0.84 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 11.169 | High | 0.87 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 16.218 | High | 0.87 | |
| mppb | Mouse plasma protein binding (% unbound) | 25.970 | High | 0.87 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 19.055 | High | 0.87 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 0 | High | 0.84 | |
| pppb | Pig plasma protein binding (% unbound) | 30.630 | % | High | 0.87 |
| rat-kpuu-brain | Rat brain Kpuu | 0.014 | % | High | 0.84 |
| rh-clint | Rat hepatocyte intrinsic clearance | 15.136 | uL/min/10^6 cells | High | 0.87 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 67.070 | % | High | 0.87 |
| rppb | Rat plasma protein binding (% unbound) | 23.770 | % | High | 0.87 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 450.817 | uM | High | 0.87 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| International normalised ratio fluctuation | 317.51 | 77.58 | 50 | 917 | 3043 | 90624437 |
| Bloody discharge | 302.54 | 77.58 | 46 | 921 | 2217 | 90625263 |
| Lyme disease | 273.44 | 77.58 | 46 | 921 | 4216 | 90623264 |
| Iron deficiency | 152.41 | 77.58 | 32 | 935 | 9580 | 90617900 |
| Secretion discharge | 125.90 | 77.58 | 30 | 937 | 15866 | 90611614 |
| Platelet count increased | 122.75 | 77.58 | 31 | 936 | 20828 | 90606652 |
| Therapeutic product effect incomplete | 112.53 | 77.58 | 50 | 917 | 193846 | 90433634 |
| Staphylococcal infection | 96.92 | 77.58 | 31 | 936 | 48408 | 90579072 |
| Drug hypersensitivity | 93.75 | 77.58 | 59 | 908 | 463550 | 90163930 |
| Infection | 85.63 | 77.58 | 51 | 916 | 362043 | 90265437 |
| Drug intolerance | 85.52 | 77.58 | 55 | 912 | 447536 | 90179944 |
| Red blood cell sedimentation rate increased | 80.73 | 77.58 | 31 | 936 | 82564 | 90544916 |
None
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| International normalised ratio fluctuation | 322.24 | 124.88 | 51 | 892 | 4029 | 110584327 |
| Bloody discharge | 311.85 | 124.88 | 47 | 896 | 2686 | 110585670 |
| Lyme disease | 290.39 | 124.88 | 47 | 896 | 4269 | 110584087 |
| Iron deficiency | 144.11 | 124.88 | 33 | 910 | 18443 | 110569913 |
| Secretion discharge | 130.59 | 124.88 | 31 | 912 | 20213 | 110568143 |
| Platelet count increased | 127.47 | 124.88 | 32 | 911 | 26302 | 110562054 |
None
| Source | Code | Description |
|---|---|---|
| FDA CS | M0028311 | Macrolides |
| FDA PE | N0000009982 | Decreased Sebaceous Gland Activity |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D005765 | Gastrointestinal Agents |
| MeSH PA | D011500 | Protein Synthesis Inhibitors |
| CHEBI has role | CHEBI:23924 | enzyme inhibitor |
| FDA EPC | N0000175877 | Macrolide |
| FDA EPC | N0000175935 | Macrolide Antimicrobial |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:76969 | bacterial metabolite |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.61 | Basic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Bile salt export pump | Transporter | IC50 | 5.39 | CHEMBL | |||||
| Bile salt export pump | Transporter | IC50 | 4.94 | CHEMBL |
| ID | Source |
|---|---|
| D02525 | KEGG_DRUG |
| 3521-62-8 | SECONDARY_CAS_RN |
| 4017593 | VANDF |
| 4017594 | VANDF |
| C0059564 | UMLSCUI |
| CHEBI:48913 | CHEBI |
| CHEMBL2220427 | ChEMBL_ID |
| CHEMBL2218877 | ChEMBL_ID |
| C011807 | MESH_SUPPLEMENTAL_RECORD_UI |
| HB75CIT999 | UNII |
| 71277 | PUBCHEM_CID |
| 4053 | RXNORM |
| 3636 | MMSL |
| 4675 | MMSL |
| 4676 | MMSL |
| 4799 | MMSL |
| 72164 | MMSL |
| d00046 | MMSL |
| 002755 | NDDF |
| 002756 | NDDF |
| 005412 | NDDF |
| 10270000 | SNOMEDCT_US |
| 30427009 | SNOMEDCT_US |
| 372694001 | SNOMEDCT_US |
| 734518007 | SNOMEDCT_US |
| D004918 | MESH_DESCRIPTOR_UI |
| C0014806 | UMLSCUI |
| DB00199 | DRUGBANK_ID |
| 12560 | PUBCHEM_CID |
| 39 | INN_ID |
| D004917 | MESH_DESCRIPTOR_UI |
| CHEBI:42355 | CHEBI |
None