Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06DSE
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| Former ID |
DNC004136
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| Drug Name |
PD-83176
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| Synonyms |
CHEMBL217423; SCHEMBL8713501; BDBM50059876; PD-83176; Cbz-His-Tyr(OBn)-Ser(OBn)-Trp-DAla-NH2; [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(S)-1-((R)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-2-(4-benzyloxy-phenyl)-ethylcarbamoyl]-2-(3H-imidazol-4-yl)-ethyl]-carbamic acid benzyl ester; [(S)-1-[(S)-1-{(S)-2-Benzyloxy-1-[(S)-1-((R)-1-carbamoyl-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyl]-ethylcarbamoyl}-2-(4-benzyloxy-phenyl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethyl]-carbamic acid be
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C54H57N9O9
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| Canonical SMILES |
CC(C(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(COCC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)C(CC6=CN=CN6)NC(=O)OCC7=CC=CC=C7
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| InChI |
1S/C54H57N9O9/c1-35(49(55)64)59-50(65)46(26-40-28-57-44-20-12-11-19-43(40)44)61-53(68)48(33-70-30-37-13-5-2-6-14-37)62-51(66)45(25-36-21-23-42(24-22-36)71-31-38-15-7-3-8-16-38)60-52(67)47(27-41-29-56-34-58-41)63-54(69)72-32-39-17-9-4-10-18-39/h2-24,28-29,34-35,45-48,57H,25-27,30-33H2,1H3,(H2,55,64)(H,56,58)(H,59,65)(H,60,67)(H,61,68)(H,62,66)(H,63,69)/t35-,45+,46+,47+,48+/m1/s1
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| InChIKey |
LMBPTRXCFXWLRW-ZYIGOEBISA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | CAAX farnesyltransferase beta (FNTB) | Target Info | Inhibitor | [1] |
| Farnesyl protein transferase (Ftase) | Target Info | Inhibitor | [1] | |
| Geranylgeranyl transferase I (GGTase-I) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Terpenoid backbone biosynthesis | |||
| Biosynthesis of antibiotics | ||||
| NetPath Pathway | TSH Signaling Pathway | |||
| Reactome | Inactivation, recovery and regulation of the phototransduction cascade | |||
| WikiPathways | Visual phototransduction | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of cysteine-lacking pentapeptide derivatives that inhibit ras farnesyltransferase. J Med Chem. 1997 Jan 17;40(2):192-200. | |||
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