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CHEBI:755988 - tak-448

Default Structure
ChEBI IDCHEBI:755988
ChEBI Nametak-448
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC58H80N16O14
Net Charge0
Average Mass1225.376
Monoisotopic Mass1224.60399
SMILES[H][C@@]1(C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc2cnc3ccccc23)C(N)=O)[C@@H](C)O)C[C@@H](O)CN1C(=O)[C@@H](Cc1ccc(O)cc1)NC(C)=O
InChIInChI=1S/C58H80N16O14/c1-30(2)22-42(51(82)66-40(16-11-21-63-57(61)62-5)50(81)67-41(49(60)80)25-35-28-64-39-15-10-9-14-38(35)39)70-58(88)73-72-53(84)43(23-33-12-7-6-8-13-33)69-55(86)48(31(3)75)71-52(83)44(27-47(59)79)68-54(85)46-26-37(78)29-74(46)56(87)45(65-32(4)76)24-34-17-19-36(77)20-18-34/h6-10,12-15,17-20,28,30-31,37,40-46,48,64,75,77-78H,11,16,21-27,29H2,1-5H3,(H2,59,79)(H2,60,80)(H,65,76)(H,66,82)(H,67,81)(H,68,85)(H,69,86)(H,71,83)(H,72,84)(H3,61,62,63)(H2,70,73,88)/t31-,37-,40+,41+,42+,43+,44+,45-,46+,48+/m1/s1
InChIKeyMWXWMWSUUYXMRA-GRKBUMBKSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
tak-448 (CHEBI:755988) has role antineoplastic agent (CHEBI:35610)
tak-448 (CHEBI:755988) is a peptide (CHEBI:16670)
Synonym  Source
Tak-448ChEMBL
Citations