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CHEBI:101257 - GGTI-2133 free base
| Formula | C27H28N4O3 |
| Net Charge | 0 |
| Average Mass | 456.546 |
| Monoisotopic Mass | 456.21614 |
| SMILES | CC(C)C[C@H](NC(=O)c1ccc(NCc2cncn2)cc1-c1cccc2ccccc12)C(=O)O |
| InChI | InChI=1S/C27H28N4O3/c1-17(2)12-25(27(33)34)31-26(32)23-11-10-19(29-15-20-14-28-16-30-20)13-24(23)22-9-5-7-18-6-3-4-8-21(18)22/h3-11,13-14,16-17,25,29H,12,15H2,1-2H3,(H,28,30)(H,31,32)(H,33,34)/t25-/m0/s1 |
| InChIKey | ODTFPKNIFYMEHP-VWLOTQADSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor An EC 2.5.1.* (non-methyl-alkyl or aryl transferase) inhibitor that interferes with the action of protein geranylgeranyltransferase type I (EC 2.5.1.59). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GGTI-2133 free base (CHEBI:101257) has role EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor (CHEBI:67267) |
| GGTI-2133 free base (CHEBI:101257) is a N-acyl-L-amino acid (CHEBI:21644) |
| GGTI-2133 free base (CHEBI:101257) is a L-leucine derivative (CHEBI:25018) |
| GGTI-2133 free base (CHEBI:101257) is a benzamides (CHEBI:22702) |
| GGTI-2133 free base (CHEBI:101257) is a biaryl (CHEBI:64459) |
| GGTI-2133 free base (CHEBI:101257) is a imidazoles (CHEBI:24780) |
| GGTI-2133 free base (CHEBI:101257) is a naphthalenes (CHEBI:25477) |
| GGTI-2133 free base (CHEBI:101257) is a secondary amino compound (CHEBI:50995) |
| GGTI-2133 free base (CHEBI:101257) is a substituted aniline (CHEBI:48975) |
| GGTI-2133 free base (CHEBI:101257) is conjugate base of GGTI-2133 free base(1+) (CHEBI:101333) |
| Incoming Relation(s) |
| GGTI-2133 free base(1+) (CHEBI:101333) is conjugate acid of GGTI-2133 free base (CHEBI:101257) |
| IUPAC Name |
|---|
| N-[4-{[(1H-imidazol-4-yl)methyl]amino}-2-(naphthalen-1-yl)benzoyl]-L-leucine |
| Synonym | Source |
|---|---|
| GGTI 2133 free base | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:25113814 | Reaxys |
| Citations |
|---|