| symbol,molecule_chembl_id,molecule_pref_name_detail,standard_type,standard_value_num,max_phase,bbb_rule_score_0_6,active_target_count_lte_1000nM,polypharmacology_flag,refined_compound_score_0_100,triage_recommendation,curation_class,curation_rationale,canonical_smiles | |
| NTRK1,CHEMBL176544,,IC50,2.0,,6.0,12.0,True,52.6,experimental comparator,manual_review_selectivity,broad kinase/trophic-pathway pharmacology; require selectivity and toxicity review,Cn1cc(/C=C2\C(=O)Nc3cccnc32)c2ccccc21 | |
| MAPK1,CHEMBL388978,STAUROSPORINE,IC50,1.0,,4.0,356.0,True,45.0,review manually,manual_review_selectivity,broad kinase/trophic-pathway pharmacology; require selectivity and toxicity review,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | |
| NTRK1,CHEMBL388978,STAUROSPORINE,Kd,2.0,,4.0,356.0,True,42.6,review manually,manual_review_selectivity,broad kinase/trophic-pathway pharmacology; require selectivity and toxicity review,CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | |
| NTRK1,CHEMBL1276446,,IC50,9.0,,5.0,15.0,True,42.4,review manually,manual_review_selectivity,broad kinase/trophic-pathway pharmacology; require selectivity and toxicity review,O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 | |
| NTRK1,CHEMBL281948,K-252A,IC50,2.4,,4.0,77.0,True,42.0,review manually,manual_review_selectivity,broad kinase/trophic-pathway pharmacology; require selectivity and toxicity review,COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | |
| LRRK2,CHEMBL608533,MIDOSTAURIN,Kd,180.0,4.0,4.0,397.0,True,47.0,review manually,repurposing_review_only,approved/investigational status helps feasibility but PD relevance and safety remain unproven,CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 | |