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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3412 | 131-57-7 |
None
None
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.541 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.290 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 57.943 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 206.063 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 0.890 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 2.290 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.357 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 679.204 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 162.930 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 1.110 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,AKT2,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP2K6,MAP3K1,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MARK4,MET,MTOR,NTRK2,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK | 51 | |||
| kinase-selectivity-class | ACVR2B,AXL,ERBB2,GRK2,PDK4,TTK | 6 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.151 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 696.627 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 1.640 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.092 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 4.390 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 301.995 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 49.190 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 1.260 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 25.763 | uM | Moderate | 0.65 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Dec. 7, 1992 | FDA | BAYER HEALTHCARE LLC |
| 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 |
|---|---|---|---|---|---|---|
| Squamous cell carcinoma of skin | 188.42 | 29.11 | 36 | 843 | 7413 | 90620155 |
| Skin atrophy | 104.68 | 29.11 | 21 | 858 | 5508 | 90622060 |
| Neoplasm skin | 71.96 | 29.11 | 14 | 865 | 3128 | 90624440 |
| Ochronosis | 60.21 | 29.11 | 7 | 872 | 42 | 90627526 |
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 |
|---|---|---|---|---|---|---|
| Squamous cell carcinoma of skin | 165.89 | 30.14 | 36 | 834 | 17167 | 110571262 |
| Skin atrophy | 105.47 | 30.14 | 21 | 849 | 6543 | 110581886 |
| Neoplasm skin | 74.61 | 30.14 | 14 | 856 | 3190 | 110585239 |
| Ochronosis | 59.18 | 30.14 | 7 | 863 | 63 | 110588366 |
None
| Source | Code | Description |
|---|---|---|
| MeSH PA | D003879 | Dermatologic Agents |
| MeSH PA | D011837 | Radiation-Protective Agents |
| MeSH PA | D013473 | Sunscreening Agents |
| MeSH PA | D020011 | Protective Agents |
| CHEBI has role | CHEBI:35703 | xenobiotic |
| CHEBI has role | CHEBI:50177 | dermatologic drug |
| CHEBI has role | CHEBI:50267 | protective agent |
| CHEBI has role | CHEBI:73335 | ultraviolet filter |
| CHEBI has role | CHEBI:78298 | environmental contaminant |
None
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 9.31 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Hormone-sensitive lipase | Enzyme | IC50 | 5.49 | CHEMBL |
| ID | Source |
|---|---|
| 4019544 | VUID |
| N0000147648 | NUI |
| D05309 | KEGG_DRUG |
| 4019323 | VANDF |
| 4019544 | VANDF |
| C0069803 | UMLSCUI |
| CHEBI:34283 | CHEBI |
| CHEMBL1625 | ChEMBL_ID |
| DB01428 | DRUGBANK_ID |
| 4632 | PUBCHEM_CID |
| C005290 | MESH_SUPPLEMENTAL_RECORD_UI |
| 2096 | INN_ID |
| 95OOS7VE0Y | UNII |
| 32673 | RXNORM |
| NOCODE | MMSL |
| 001967 | NDDF |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Solbar Thirty SPF 30 | HUMAN OTC DRUG LABEL | 5 | 0096-0685 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Solbar Thirty SPF 30 | HUMAN OTC DRUG LABEL | 5 | 0096-0685 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Solbar Avo SPF35 | HUMAN OTC DRUG LABEL | 4 | 0096-0687 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Solbar Avo SPF35 | HUMAN OTC DRUG LABEL | 4 | 0096-0687 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| SOLBAR THIRTY | HUMAN OTC DRUG LABEL | 5 | 0096-0689 | GEL | 60 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| SOLBAR SUNSCREEN 35 AVO | HUMAN OTC DRUG LABEL | 4 | 0096-0690 | CREAM | 60 mg | TOPICAL | OTC Monograph Drug | 11 sections |
| SOLBAR SUNSCREEN 50 FIFTY | HUMAN OTC DRUG LABEL | 4 | 0096-0693 | CREAM | 60 mg | TOPICAL | OTC Monograph Drug | 10 sections |
| Solbar Fifty SPF50 | HUMAN OTC DRUG LABEL | 4 | 0096-0741 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Solbar Fifty SPF50 | HUMAN OTC DRUG LABEL | 4 | 0096-0741 | CREAM | 0.06 g | TOPICAL | OTC Monograph Drug | 8 sections |
| Mederma Scar Cream | HUMAN OTC DRUG LABEL | 3 | 0113-4083 | CREAM | 60 mg | TOPICAL | OTC Monograph Drug | 13 sections |
| Cetaphil Daily Facial Moisturizer with suncreen SPF 50 | HUMAN OTC DRUG LABEL | 5 | 0299-4930 | LOTION | 60 mg | TOPICAL | OTC Monograph Drug | 12 sections |
| Walgreens Anti-Sagging and Ultra Hydrating Day Cream Broad Spectrum SPF15 Sunscreen | HUMAN OTC DRUG LABEL | 3 | 0363-0696 | CREAM | 2 g | TOPICAL | OTC monograph not final | 12 sections |
| Well at Walgreens Mist Sheer Broad Spectrum Broad Spectrum SPF 30 | HUMAN OTC DRUG LABEL | 5 | 0363-0996 | SPRAY | 500 mg | TOPICAL | OTC Monograph Drug | 13 sections |
| Scar with SPF 30Walgreens | HUMAN OTC DRUG LABEL | 3 | 0363-1116 | CREAM | 6 g | TOPICAL | OTC monograph final | 9 sections |
| 70 Dry Touch SPF 70 | HUMAN OTC DRUG LABEL | 5 | 0363-1125 | STICK | 3 g | TOPICAL | OTC monograph not final | 8 sections |
| Walgreens Sunscreen Sport SFP 70 | HUMAN OTC DRUG LABEL | 5 | 0363-1671 | LOTION | 6 g | TOPICAL | OTC monograph not final | 13 sections |
| Walgreens Scar Cream w/SPF 30 | HUMAN OTC DRUG LABEL | 3 | 0363-2054 | CREAM | 60 mg | TOPICAL | OTC Monograph Drug | 12 sections |
| Walgreen Sport SPF 50 | HUMAN OTC DRUG LABEL | 5 | 0363-2720 | LOTION | 6 g | TOPICAL | OTC monograph not final | 13 sections |
| SPF 55 Sport SunstickWell at Walgreens | HUMAN OTC DRUG LABEL | 5 | 0363-3215 | STICK | 6 g | TOPICAL | OTC monograph not final | 10 sections |
| Walgreens Sport Faces SPF 30 | HUMAN OTC DRUG LABEL | 5 | 0363-3890 | LOTION | 4 g | TOPICAL | OTC monograph not final | 13 sections |
| Walgreens SunscreenSPF 15 | HUMAN OTC DRUG LABEL | 2 | 0363-4001 | LOTION | 4.50 g | TOPICAL | OTC monograph not final | 10 sections |
| Walgreens Sunscreen SportSPF 30 | HUMAN OTC DRUG LABEL | 5 | 0363-4005 | LOTION | 5 g | TOPICAL | OTC monograph not final | 11 sections |
| Walgreens SunscreenSPF 30 | HUMAN OTC DRUG LABEL | 5 | 0363-4006 | LOTION | 2 g | TOPICAL | OTC monograph not final | 11 sections |
| Walgreens SunscreenSPF 50 | HUMAN OTC DRUG LABEL | 5 | 0363-4007 | LOTION | 4 g | TOPICAL | OTC monograph not final | 13 sections |
| Walgreens SunscreenSPF 70 SPF 70 | HUMAN OTC DRUG LABEL | 3 | 0363-4009 | LOTION | 2 g | TOPICAL | OTC monograph not final | 10 sections |
| Walgreens Sunscreen BabySPF 50 | HUMAN OTC DRUG LABEL | 5 | 0363-4010 | LOTION | 4 g | TOPICAL | OTC monograph not final | 10 sections |
| Walgreens Sunscreen SportSPF 50 | HUMAN OTC DRUG LABEL | 5 | 0363-4011 | LOTION | 6 g | TOPICAL | OTC monograph not final | 11 sections |
| Walgreens SUNSCREEN SportBroad Spectrum SPF 30 | HUMAN OTC DRUG LABEL | 5 | 0363-4015 | LOTION | 5 g | TOPICAL | OTC monograph not final | 11 sections |
| WALGREENS CLEAR FACE | HUMAN OTC DRUG LABEL | 5 | 0363-4017 | LOTION | 4 g | TOPICAL | OTC monograph not final | 13 sections |
| WALGREENS KIDS SPF 50 | HUMAN OTC DRUG LABEL | 5 | 0363-4018 | LOTION | 4 g | TOPICAL | OTC monograph not final | 13 sections |