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| Stem definition | Drug id | CAS RN |
|---|---|---|
| antibiotics, protein-synthesis inhibitors, tetracycline derivatives | 3333 | 2013-58-3 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,ALK,AURKA,AURKC,AXL,BMX,BRAF,BTK,CAMK2B,CAMK2D,CDK19,CDK2,CDK4,CDK5,CDK9,DDR1,DYRK1B,DYRK3,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3A,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,KDR,KIT,MAP2K6,MAP3K14,MAP3K2,MAP3K21,MAP3K3,MAP3K7,MAP4K1,MAPK1,MAPK10,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MAPKAPK5,MARK4,MELK,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PIM2,PIM3,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKCD,PRKDC,PTK2,SGK1,SIK2,SIK3,STK10,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ULK2,ZAP70 | 88 | |||
| kinase-selectivity-class | ACVR2B,AURKC,AXL,BRAF,CDK4,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3A,JAK2,MAP2K6,MAP3K14,MAP3K2,MAPK12,MAPK7,MAPK8,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 | 24 | |||
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA | JOHNSON AND JOHNSON |
None
None
None
None
| Source | Code | Description |
|---|---|---|
| ATC | D10AF04 | DERMATOLOGICALS ANTI-ACNE PREPARATIONS ANTI-ACNE PREPARATIONS FOR TOPICAL USE Antiinfectives for treatment of acne |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000900 | Anti-Bacterial Agents |
| CHEBI has role | CHEBI:67079 | anti-inflammatory agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Trachoma | indication | 2576002 | DOID:11265 |
| Actinomycotic infection | indication | 11817007 | DOID:8478 |
| Gonorrhea | indication | 15628003 | DOID:7551 |
| Haemophilus Influenzae Acute Otitis Media | indication | 19021002 | |
| Infection of skin AND/OR subcutaneous tissue | indication | 19824006 | |
| Gingivostomatitis | indication | 20607006 | |
| Acute gonococcal cervicitis | indication | 20943002 | DOID:10615 |
| Granuloma inguinale | indication | 28867007 | DOID:9113 |
| Acute gonococcal urethritis | indication | 29864006 | |
| Bronchitis | indication | 32398004 | DOID:6132 |
| Sinusitis | indication | 36971009 | |
| Gonorrhea of rectum | indication | 42746002 | |
| Klebsiella cystitis | indication | 60867007 | |
| Acute gonococcal endometritis | indication | 65295003 | DOID:7527 |
| Urinary tract infectious disease | indication | 68566005 | |
| Yaws | indication | 70647001 | DOID:10371 |
| Gonorrhea of pharynx | indication | 74372003 | |
| Rickettsialpox | indication | 75096007 | DOID:11103 |
| Ornithosis | indication | 75116005 | DOID:11262 |
| Acute bacterial sinusitis | indication | 75498004 | |
| Brucellosis | indication | 75702008 | DOID:11077 |
| Syphilis | indication | 76272004 | |
| Acne vulgaris | indication | 88616000 | |
| Rocky Mountain spotted fever | indication | 186772009 | |
| Q fever | indication | 186788009 | DOID:11100 |
| Lymphogranuloma venereum | indication | 186946009 | DOID:13819 |
| Pneumonia | indication | 233604007 | DOID:552 |
| Inclusion conjunctivitis | indication | 266109000 | |
| Chancroid | indication | 266143009 | DOID:13778 |
| Infective otitis media | indication | 312218008 | |
| Pharyngitis | indication | 405737000 | DOID:2275 |
| Infection due to Staphylococcus aureus | indication | 406602003 | |
| Anthrax | indication | 409498004 | DOID:7427 |
| Relapsing fever | indication | 420079008 | DOID:13034 |
| Haemophilus Influenzae Pharyngitis | indication | ||
| Typhus Infections | indication | ||
| Tularemia | off-label use | 19265001 | |
| Enterocolitis | off-label use | 43752006 | |
| Pneumonia due to Mycoplasma pneumoniae | off-label use | 46970008 | |
| Syndrome of inappropriate vasopressin secretion | off-label use | 55004003 | DOID:3401 |
| Plague | off-label use | 58750007 | DOID:3482 |
| Cholangitis | off-label use | 82403002 | DOID:9446 |
| Chlamydial infection | off-label use | 105629000 | |
| Infectious disease of abdomen | off-label use | 128070006 | |
| Ocular rosacea | off-label use | 200933006 | |
| Minor Bacterial Skin Infections | off-label use | ||
| Diabetes insipidus | contraindication | 15771004 | DOID:9409 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Pregnancy, function | contraindication | 289908002 | |
| Pseudomembranous enterocolitis | contraindication | 397683000 | |
| Breastfeeding (mother) | contraindication | 413712001 |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.39 | acidic |
| pKa2 | 6.97 | acidic |
| pKa3 | 9.46 | acidic |
| pKa4 | 10.69 | acidic |
| pKa5 | 11.35 | acidic |
| pKa6 | 13.08 | acidic |
| pKa7 | 8.73 | Basic |
None
None
None
| ID | Source |
|---|---|
| D02476 | KEGG_DRUG |
| C0065841 | UMLSCUI |
| CHEBI:135772 | CHEBI |
| CHEMBL1237124 | ChEMBL_ID |
| CHEMBL261772 | ChEMBL_ID |
| DB13092 | DRUGBANK_ID |
| C100122 | MESH_SUPPLEMENTAL_RECORD_UI |
| 13540 | IUPHAR_LIGAND_ID |
| 1566 | INN_ID |
| 73816-42-9 | SECONDARY_CAS_RN |
| 23Q8M2HE6S | UNII |
| 54676539 | PUBCHEM_CID |
| 203162 | RXNORM |
| 1690 | MMSL |
| 5030 | MMSL |
| 002752 | NDDF |
| 002753 | NDDF |
| 27079005 | SNOMEDCT_US |
| 371167002 | SNOMEDCT_US |
| 6162007 | SNOMEDCT_US |
None