Molecule Details
InChIKeyJPWOPFCHHBSUKB-UBCBJBLPSA-N
Compound Name[4-[[1-[5-[2-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-2-oxoethoxy]pentyl]triazol-4-yl]methoxy]phenyl]methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
Canonical SMILESCc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCCCn2cc(COc3ccc(COC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]4CCNC4=O)cc3)nn2)C(C)(C)C)cc1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)4
Pfam Stratification Cross-Family
Avg pChEMBL7.15
SourceChEMBL
2D Structure
2D structure
Activity Profile
Target Activities (4)
Target Gene Organism Category Pfam pChEMBL Type Source
P40337 VHL Homo sapiens Human PF01847 PF17211 7.5 Kd ChEMBL
Q15369 ELOC Homo sapiens Human PF03931 7.5 Kd ChEMBL
Q15370 ELOB Homo sapiens Human PF00240 7.5 Kd ChEMBL
P0DTD1 rep Severe acute respiratory syndrome coronavirus 2 Pathogen PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 6.2 IC50 ChEMBL