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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, protein-synthesis inhibitors, tetracycline derivatives | 1619 | 992-21-2 |
| Dose | Unit | Route |
|---|---|---|
| 0.60 | g | O |
| 0.60 | g | P |
| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 99 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.100 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 1.629 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.345 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.679 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 81.710 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 62.240 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.643 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.416 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.296 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 84 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAPK10,MAPK7,MAPK9,MAPKAPK2,MAPKAPK5,MTOR,NTRK1,NTRK2,PDK1,PDK2,PIK3CA,PIK3CB,PIM1,PIM2,PLK1,PLK2,PLK3,PLK4,PRKCD,PRKDC,PTK2,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1 | 66 | |||
| kinase-selectivity-class | AXL,BRAF,CDK4,CDK9,EIF2AK3,EPHB4,GRK2,JAK2,MAP2K6,MAP3K14,MAPK7,MAPK8,STK33,SYK,TEK,TGFBR1 | 16 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.239 | Moderate | 0.65 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 4.169 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.176 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 79.700 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 3.767 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | Moderate | 0.65 | |
| pppb | Pig plasma protein binding (% unbound) | 79.740 | % | Moderate | 0.65 |
| rat-kpuu-brain | Rat brain Kpuu | 0.009 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.422 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 87.240 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 81.040 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 889.201 | uM | Moderate | 0.65 |
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 |
|---|---|---|---|---|---|---|
| Drug reaction with eosinophilia and systemic symptoms | 60.68 | 36.45 | 20 | 754 | 42738 | 90584935 |
| Hidradenitis | 46.06 | 36.45 | 10 | 764 | 4337 | 90623336 |
| Swelling face | 44.78 | 36.45 | 19 | 755 | 81333 | 90546340 |
| Dermatitis acneiform | 37.11 | 36.45 | 9 | 765 | 6345 | 90621328 |
| 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 |
|---|---|---|---|---|---|---|
| Congenital nystagmus | 37.92 | 36.63 | 5 | 396 | 95 | 42620839 |
| 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 |
|---|---|---|---|---|---|---|
| Hidradenitis | 52.68 | 32.42 | 12 | 1168 | 5168 | 110582951 |
| Drug reaction with eosinophilia and systemic symptoms | 49.98 | 32.42 | 22 | 1158 | 82073 | 110506046 |
| Swelling face | 44.41 | 32.42 | 21 | 1159 | 92300 | 110495819 |
| Neurodevelopmental disorder | 37.86 | 32.42 | 5 | 1175 | 84 | 110588035 |
| Congenital nystagmus | 36.62 | 32.42 | 5 | 1175 | 109 | 110588010 |
| Dermatitis acneiform | 33.19 | 32.42 | 10 | 1170 | 12685 | 110575434 |
None
| Source | Code | Description |
|---|---|---|
| ATC | J01AA04 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIBACTERIALS FOR SYSTEMIC USE TETRACYCLINES Tetracyclines |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:33282 | antibacterial agent |
| CHEBI has role | CHEBI:35820 | antiprotozoal drug |
| CHEBI has role | CHEBI:36047 | antibacterial drug |
| CHEBI has role | CHEBI:48001 | protein synthesis inhibitor |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 1.99 | acidic |
| pKa2 | 3.72 | acidic |
| pKa3 | 7.83 | acidic |
| pKa4 | 9.46 | acidic |
| pKa5 | 11.9 | acidic |
| pKa6 | 13.04 | acidic |
| pKa7 | 13.7 | acidic |
| pKa8 | 10.16 | Basic |
| pKa9 | 9.21 | Basic |
| pKa10 | 8.44 | Basic |
None
None
None
| ID | Source |
|---|---|
| N0000167346 | NUI |
| D06884 | KEGG_DRUG |
| C0024200 | UMLSCUI |
| CHEBI:59040 | CHEBI |
| CHEMBL2103929 | ChEMBL_ID |
| D008194 | MESH_DESCRIPTOR_UI |
| DB00256 | DRUGBANK_ID |
| 10912 | IUPHAR_LIGAND_ID |
| 1679 | INN_ID |
| 7D6EM3S13P | UNII |
| 54707177 | PUBCHEM_CID |
| 6513 | RXNORM |
| 003993 | NDDF |
| 387548007 | SNOMEDCT_US |
| 96077007 | SNOMEDCT_US |
None