Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H26N2O.ClH |
| Molecular Weight | 346.894 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]12C[C@H]3C[C@H](CC)[C@]1([H])[N@](C3)CCC4=C2NC5=C4C=C(OC)C=C5
InChI
InChIKey=IKJFDJLQPHDRTD-ISYVNWANSA-N
InChI=1S/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H/t12-,13+,17+,20+;/m1./s1
| Molecular Formula | C20H26N2O |
| Molecular Weight | 310.4332 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL237 |
2.0 µM [Ki] | ||
Target ID: CHEMBL233 |
130.0 nM [Ki] | ||
Target ID: CHEMBL2094124 |
1.0 µM [Ki] | ||
Target ID: Q99720|||Q7Z653 Gene ID: 10280.0 Gene Symbol: SIGMAR1 Target Organism: Homo sapiens (Human) |
9.0 µM [Ki] | ||
Target ID: Q5BJF2 Gene ID: 27346.0 Gene Symbol: TMEM97 Target Organism: Homo sapiens (Human) |
0.09 µM [Ki] | ||
Target ID: CHEMBL238 |
2.0 µM [Ki] | ||
Target ID: CHEMBL228 |
0.5 µM [Ki] | ||
Target ID: CHEMBL1907594 |
0.95 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:23:51 GMT 2023
by
admin
on
Fri Dec 15 15:23:51 GMT 2023
|
| Record UNII |
MRI8GKD98X
|
| Record Status |
Validated (UNII)
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| Record Version |
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197059
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36415-61-9
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NON-SPECIFIC STOICHIOMETRY | |||
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227-687-1
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DTXSID7048877
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m6184
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5934-55-4
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MRI8GKD98X
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ACTIVE MOIETY |