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| Stem definition | Drug id | CAS RN |
|---|---|---|
| vinca alkaloids | 3644 | 162652-95-1 |
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| Property | Value | Reference |
|---|---|---|
| BA (Bioavailability) | 57 % |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.364 | Moderate | 0.74 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 75.336 | Moderate | 0.74 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 3.076 | 10^-6 cm/s | Moderate | 0.74 |
| dh-clint | Dog hepatocyte intrinsic clearance | 13.614 | uL/min/10^6 cells | Moderate | 0.74 |
| dppb | Dog plasma protein binding (% unbound) | 8.940 | % | Moderate | 0.74 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 17.650 | % | Moderate | 0.74 |
| herg | hERG pIC50 | 4.863 | pIC50 | Moderate | 0.74 |
| hh-clint | Human hepatocyte intrinsic clearance | 8.472 | uL/min/10^6 cells | Moderate | 0.74 |
| hlm-clint | Human liver microsomal intrinsic clearance | 102.329 | uL/min/mg protein | Moderate | 0.74 |
| hppb | Human plasma protein binding (% unbound) | 13.440 | % | Moderate | 0.74 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIM2,PRKDC,STK33,TEK,TGFBR1,ZAP70 | 31 | |||
| kinase-selectivity-class | EIF2AK3 | 1 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 64.714 | High | 0.81 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 44.978 | Moderate | 0.74 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 20.797 | Moderate | 0.74 | |
| mppb | Mouse plasma protein binding (% unbound) | 6.610 | Moderate | 0.74 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 86.099 | Moderate | 0.74 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 1 | |||
| pld-class | Phospholipidosis risk class (1 = positive, 0 = negative) | 1 | High | 0.81 | |
| pppb | Pig plasma protein binding (% unbound) | 15.520 | % | Moderate | 0.74 |
| rat-kpuu-brain | Rat brain Kpuu | 0.012 | % | High | 0.81 |
| rh-clint | Rat hepatocyte intrinsic clearance | 10.593 | uL/min/10^6 cells | Moderate | 0.74 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 21.280 | % | Moderate | 0.74 |
| rppb | Rat plasma protein binding (% unbound) | 8.410 | % | Moderate | 0.74 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 264.241 | uM | Moderate | 0.74 |
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| Source | Code | Description |
|---|---|---|
| ATC | L01CA05 | ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS ANTINEOPLASTIC AGENTS PLANT ALKALOIDS AND OTHER NATURAL PRODUCTS Vinca alkaloids and analogues |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Transitional cell carcinoma | indication | 27090000 | DOID:2671 |
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| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 11.32 | acidic |
| pKa2 | 13.35 | acidic |
| pKa3 | 7.39 | Basic |
| pKa4 | 6.11 | Basic |
| pKa5 | 5.01 | Basic |
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| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Tubulin beta | Tumour-associated antigen | INHIBITOR | SCIENTIFIC LITERATURE | SCIENTIFIC LITERATURE |
| ID | Source |
|---|---|
| D09032 | KEGG_DRUG |
| 194468-36-5 | SECONDARY_CAS_RN |
| C0672663 | UMLSCUI |
| CHEBI:90241 | CHEBI |
| CHEMBL2110725 | ChEMBL_ID |
| CHEMBL2105629 | ChEMBL_ID |
| DB11641 | DRUGBANK_ID |
| C111217 | MESH_SUPPLEMENTAL_RECORD_UI |
| 7499 | INN_ID |
| 5BF646324K | UNII |
| 10629256 | PUBCHEM_CID |
| 013377 | NDDF |
| 013378 | NDDF |
| 16666811000001104 | SNOMEDCT_US |
| 698843001 | SNOMEDCT_US |
None