Molecule Details
InChIKeyFMBRAYUCAAUXJJ-UHFFFAOYSA-N
Compound NameMethyl 1-[4-[(2,4-diaminopteridin-6-yl)methyl-prop-2-ynylamino]benzoyl]piperidine-4-carboxylate
Canonical SMILESC#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.68
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
Q581W1 Tb08.26N11.790 Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Pathogen PF13561 7.4 IC50 ChEMBL
Q01782 PTR1 Leishmania major Pathogen PF00106 PF13561 6.5 IC50 ChEMBL
P07382 Leishmania major Pathogen PF00186 PF00303 6.2 IC50 ChEMBL