| Stereochemistry | ACHIRAL |
| Molecular Formula | C27H29N5O5 |
| Molecular Weight | 503.5497 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCN1C2=C(NC(=N2)C3=CC=C(OCC(=O)NC4=CC=C(C=C4)C(C)=O)C=C3)C(=O)N(CCC)C1=O
InChI
InChIKey=ZKUCFFYOQOJLGT-UHFFFAOYSA-N
InChI=1S/C27H29N5O5/c1-4-14-31-25-23(26(35)32(15-5-2)27(31)36)29-24(30-25)19-8-12-21(13-9-19)37-16-22(34)28-20-10-6-18(7-11-20)17(3)33/h6-13H,4-5,14-16H2,1-3H3,(H,28,34)(H,29,30)
| Molecular Formula | C27H29N5O5 |
| Molecular Weight | 503.5497 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
| 1.39 nM [Ki] |
|
|
TARGET -> INHIBITOR |
Counteracted NECA-mediated
response with an IC50 value
IC50
3.6 NANOMOLAR [3.37 to 3.83] (average) |
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