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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2642 | 91-85-0 |
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 1.258 | Moderate | 0.79 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.386 | Moderate | 0.79 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 29.242 | 10^-6 cm/s | Moderate | 0.79 |
| dh-clint | Dog hepatocyte intrinsic clearance | 112.202 | uL/min/10^6 cells | Moderate | 0.79 |
| dppb | Dog plasma protein binding (% unbound) | 58.610 | % | Moderate | 0.79 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 71.670 | % | Moderate | 0.79 |
| herg | hERG pIC50 | 5.419 | pIC50 | Moderate | 0.79 |
| hh-clint | Human hepatocyte intrinsic clearance | 13.964 | uL/min/10^6 cells | Moderate | 0.79 |
| hlm-clint | Human liver microsomal intrinsic clearance | 14.791 | uL/min/mg protein | Moderate | 0.79 |
| hppb | Human plasma protein binding (% unbound) | 58.490 | % | Moderate | 0.79 |
| kinase-safety-class | ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,ITK,JAK2,MAP3K21,MAP3K7,MAPK12,MAPK7,MAPK9,MAPKAPK2,NTRK2,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1 | 36 | |||
| kinase-selectivity-class | AXL,BRAF,ERBB2 | 3 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.267 | Moderate | 0.79 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 208.449 | Moderate | 0.79 | |
| mppb | Mouse plasma protein binding (% unbound) | 61.910 | Moderate | 0.79 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.815 | Moderate | 0.79 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 79.020 | % | Moderate | 0.79 |
| rh-clint | Rat hepatocyte intrinsic clearance | 175.388 | uL/min/10^6 cells | Moderate | 0.79 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 80.360 | % | Moderate | 0.79 |
| rppb | Rat plasma protein binding (% unbound) | 62.560 | % | Moderate | 0.79 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 981.748 | uM | Moderate | 0.79 |
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| Source | Code | Description |
|---|---|---|
| ATC | D04AA01 | DERMATOLOGICALS ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC. ANTIPRURITICS, INCL. ANTIHISTAMINES, ANESTHETICS, ETC. Antihistamines for topical use |
| ATC | R01AC06 | RESPIRATORY SYSTEM NASAL PREPARATIONS DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE Antiallergic agents, excl. corticosteroids |
| ATC | R06AC06 | RESPIRATORY SYSTEM ANTIHISTAMINES FOR SYSTEMIC USE ANTIHISTAMINES FOR SYSTEMIC USE Substituted ethylene diamines |
| MeSH PA | D006633 | Histamine Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018494 | Histamine Agents |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.8 | Basic |
| pKa2 | 1.88 | Basic |
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| ID | Source |
|---|---|
| D08587 | KEGG_DRUG |
| C0175162 | UMLSCUI |
| CHEBI:104017 | CHEBI |
| CHEMBL1623738 | ChEMBL_ID |
| DB11235 | DRUGBANK_ID |
| C100145 | MESH_SUPPLEMENTAL_RECORD_UI |
| 5457 | PUBCHEM_CID |
| 4200 | INN_ID |
| R79646H5Z8 | UNII |
| 1360721 | RXNORM |
| d08090 | MMSL |
| 004792 | NDDF |
| 363553005 | SNOMEDCT_US |
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