Molecule Details
| InChIKey | RUTCIZOQGCWURK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 3-(12,14-Dioxo-10,13,16-triazahexacyclo[14.6.1.02,10.04,9.011,15.019,23]tricosa-1(22),2,4,6,8,11(15),17,19(23),20-nonaen-13-yl)propyl carbamimidothioate |
| Canonical SMILES | N=C(N)SCCCn1c(=O)c2c(c1=O)n1c3ccccc3cc1c1cccc3ccn2c31 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 6 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | N/A |
| Source | TTD_MultiTarget |
2D Structure
Target Activities (6)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P06729 | CD2 | Homo sapiens | Human | PF05790 PF07686 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | Clinical | TTD_MultiTarget | TTD_MultiTarget |
| P31749 | AKT1 | Homo sapiens | Human | PF00169 PF00069 PF00433 | Clinical | TTD_MultiTarget | TTD_MultiTarget |