Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D07KDH
|
||||
| Former ID |
DNC009005
|
||||
| Drug Name |
[Sar9,Met(O2)11]-SP
|
||||
| Indication | Discovery agent | Investigative | [540519] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C64H100N18O15S
|
||||
| Canonical SMILES |
CC(C)CC(C(=O)NC(CCS(=O)(=O)C)C(=O)N)NC(=O)C(C)NC(=O)C(C<br />C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O<br />)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)C(CCCCN)NC(=O)C4CCCN4C(=O<br />)C(CCCN=C(N)N)N
|
||||
| InChI |
1S/C64H100N18O15S/c1-37(2)34-46(58(90)74-42(53(69)85)28-33-98(4,96)97)78-54(86)38(3)73-57(89)47(35-39-16-7-5-8-17-39)80-59(91)48(36-40-18-9-6-10-19-40)79-56(88)43(24-26-51(67)83)75-55(87)44(25-27-52(68)84)76-60(92)50-23-15-32-82(50)63(95)45(21-11-12-29-65)77-61(93)49-22-14-31-81(49)62(94)41(66)20-13-30-72-64(70)71/h5-10,16-19,37-38,41-50H,11-15,20-36,65-66H2,1-4H3,(H2,67,83)(H2,68,84)(H2,69,85)(H,73,89)(H,74,90)(H,75,87)(H,76,92)(H,77,93)(H,78,86)(H,79,88)(H,80,91)(H4,70,71,72)/t38?,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-/m0/s1
|
||||
| InChIKey |
VRAGPHDTXRPMRS-RGKHVPTMSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Substance-P receptor | Target Info | Inhibitor | [529789] | |
| PANTHER Pathway | CCKR signaling map ST | ||||
| Reactome | G alpha (q) signalling events | ||||
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.