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| Stem definition | Drug id | CAS RN |
|---|---|---|
| 4551 | 188709-02-6 |
| Molecule | Description |
|---|---|
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| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -3.998 | Moderate | 0.65 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.461 | Moderate | 0.65 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.363 | 10^-6 cm/s | Moderate | 0.65 |
| dh-clint | Dog hepatocyte intrinsic clearance | 2.128 | uL/min/10^6 cells | Moderate | 0.65 |
| dppb | Dog plasma protein binding (% unbound) | 86.350 | % | Moderate | 0.65 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 43.700 | % | Moderate | 0.65 |
| herg | hERG pIC50 | 4.208 | pIC50 | Moderate | 0.65 |
| hh-clint | Human hepatocyte intrinsic clearance | 3.443 | uL/min/10^6 cells | Moderate | 0.65 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.090 | uL/min/mg protein | Moderate | 0.65 |
| hppb | Human plasma protein binding (% unbound) | 81.330 | % | Moderate | 0.65 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,AKT2,AKT3,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,ITK,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CG,PIM2,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 | 48 | |||
| kinase-selectivity-class | AXL,BRAF,CAMK2D,CDK4,GRK2 | 5 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 0.462 | Moderate | 0.65 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.089 | Moderate | 0.65 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 3.273 | Moderate | 0.65 | |
| mppb | Mouse plasma protein binding (% unbound) | 92.430 | Moderate | 0.65 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.449 | Moderate | 0.65 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 77.780 | % | Moderate | 0.65 |
| rat-kpuu-brain | Rat brain Kpuu | 0.084 | % | Moderate | 0.65 |
| rh-clint | Rat hepatocyte intrinsic clearance | 3.589 | uL/min/10^6 cells | Moderate | 0.65 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 95.420 | % | Moderate | 0.65 |
| rppb | Rat plasma protein binding (% unbound) | 92.480 | % | Moderate | 0.65 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1056.818 | uM | Moderate | 0.65 |
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| Source | Code | Description |
|---|---|---|
| ATC | V09IX08 | VARIOUS DIAGNOSTIC RADIOPHARMACEUTICALS TUMOUR DETECTION Other diagnostic radiopharmaceuticals for tumour detection |
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| ID | Source |
|---|---|
| CHEMBL3707264 | ChEMBL_ID |
| C2348690 | UMLSCUI |
| 10103319 | PUBCHEM_CID |
| 407582-17-6 | SECONDARY_CAS_RN |
| 290587400Z | UNII |
| 361GS6D83C | UNII |
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