Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Y3OX
|
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| Former ID |
DNC007868
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| Drug Name |
TN-14003
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| Indication | Acute lymphoblastic leukemia [ICD9: 204.0, 556; ICD10:C91.0] | Investigative | [529115] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C90H141N33O18S2
|
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| Canonical SMILES |
C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O<br />)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCCN)CCCNC(=O)N)CC<br />3=CC=C(C=C3)O)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)NC(=O)C(CCCN<br />C(=N)N)NC(=O)C(CCCNC(=N)N)N)C(=O)NC(CCCNC(=N)N)C(=O)N)C<br />CCNC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O
|
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| InChI |
1S/C90H141N33O18S2/c91-35-5-3-17-59-75(130)117-64(18-4-6-36-92)84(139)123-43-13-24-70(123)83(138)120-66(46-51-28-33-56(125)34-29-51)79(134)116-61(21-10-40-108-88(101)102)74(129)114-63(23-12-42-110-90(104)141)77(132)121-68(81(136)111-58(71(94)126)19-8-38-106-86(97)98)48-142-143-49-69(82(137)119-65(45-50-26-31-55(124)32-27-50)78(133)115-62(73(128)113-59)22-11-41-109-89(103)140)122-80(135)67(47-52-25-30-53-14-1-2-15-54(53)44-52)118-76(131)60(20-9-39-107-87(99)100)112-72(127)57(93)16-7-37-105-85(95)96/h1-2,14-15,25-34,44,57-70,124-125H,3-13,16-24,35-43,45-49,91-93H2,(H2,94,126)(H,111,136)(H,112,127)(H,113,128)(H,114,129)(H,115,133)(H,116,134)(H,117,130)(H,118,131)(H,119,137)(H,120,138)(H,121,132)(H,122,135)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,140)(H3,104,110,141)/t57-,58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-/m0/s1
|
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| InChIKey |
DGQKRQOCJFODHN-OIHVMPBRSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | C-X-C chemokine receptor 4 | Target Info | Inhibitor | [529115] | |
| References | |||||
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