General Information of Drug (ID: DM3SL5V)

Drug Name
SDZ-280-446
Synonyms
Sdz 280-446; 129893-84-1; AC1LA44D; tert-butyl 2-[(3R,6S,9S,15S,18S,21S,24S,27S,30S)-15,18-bis[(2S)-butan-2-yl]-6-[(4-methoxyphenyl)methyl]-3,10,16,19,22,28-hexamethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-9,24,27-tri(propan-2-yl)-4-oxa-1,7,10,13,16,19,22,25,28-nonazabicyclo[28.4.0]tetratriacontan-21-yl]acetate; Cyclo[N-methyl-L-.alpha.-aspartyl-N-methyl-L-isoleucyl-N-methyl-L-isoleucylglycyl-N-methyl-L-valyl-O-methyl-L-tyrosyl-(2S)-2-hydroxypropanoyl-(2S)-2-piperidinecarbonyl-N-methyl-L-valyl-L-valyl], 1,1-dimeth
Indication
Disease Entry ICD 11 Status REF
Solid tumour/cancer 2A00-2F9Z Terminated [1]
Structure
3D MOL 2D MOL
Chemical Identifiers
Formula
C61H99N9O14
Canonical SMILES
CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NC(C(=O)OC(C(=O)N2CCCCC2C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)CC)C)CC(=O)OC(C)(C)C)C)C(C)C)C(C)C)C)C)CC3=CC=C(C=C3)OC)C(C)C)C
InChI
1S/C61H99N9O14/c1-21-37(9)50-52(73)62-33-45(71)66(16)48(35(5)6)53(74)63-42(31-40-26-28-41(82-20)29-27-40)60(81)83-39(11)55(76)70-30-24-23-25-43(70)56(77)67(17)49(36(7)8)54(75)64-47(34(3)4)58(79)65(15)44(32-46(72)84-61(12,13)14)57(78)69(19)51(38(10)22-2)59(80)68(50)18/h26-29,34-39,42-44,47-51H,21-25,30-33H2,1-20H3,(H,62,73)(H,63,74)(H,64,75)/t37-,38-,39+,42-,43-,44-,47-,48-,49-,50-,51-/m0/s1
InChIKey
UGWMRFXIOXUDPM-OUABENRGSA-N
Cross-matching ID
PubChem CID
461372
TTD ID
D01RKQ

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800001282)