Compound Summary
Compound Information
Obatoclax mesylate
Compound Name: | Obatoclax mesylate |
Compound CID: | 16681698 |
Synonyms: | Obatoclax mesylate 803712-79-0 Obatoclax (Mesylate) Obatoclax mesilate 2-(2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate More... |
Iupac Name: | (2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid |
InChI: | InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21,23H,1-3H3;1H3,(H,2,3,4)/b18-17-,19-10-; |
InChIKey: | ZVAGBRFUYHSUHA-LZOXOEDVSA-N |
Canonical Smiles: | CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)O |
Isomeric Smiles: | CC1=CC(=C(N1)/C=C\2/C(=C/C(=C/3\C=C4C=CC=CC4=N3)/N2)OC)C.CS(=O)(=O)O |
Molecular Weight: | 413.5 |
Molecular Formula: | C21H23N3O4S |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Obatoclax mesylate
Molecular Weight: | 413.5 |
Molecular Formula: | C21H23N3O4S |
Hydrogen Bond Donor Count: | 3 |
Hydrogen Bond Acceptor Count: | 6 |
Rotatable Bond Count: | 2 |
Heavy Atom Count: | 29 |
Complexity: | 869 |
Synonyms
Obatoclax mesylate
| Obatoclax mesylate | Obatoclax mesylate |
|---|---|
Obatoclax mesylate |
803712-79-0 |
Obatoclax (Mesylate) |
Obatoclax mesilate |
2-(2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate |
Obatoclax mesylate (GX15-070) |
(2Z)-2-(5Z)-5-(3,5-dimethyl-1H-pyrrol-2-yl)methylidene-4-methoxypyrrol-2-ylideneindole;methanesulfonic acid |
UNII-39200FJ43J |
GX15-070MS |
(Z)-2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate |
39200FJ43J |
CHEMBL2107358 |
AOB6156 |
EX-A333 |
GX-15-070MS |
MFCD18074508 |
NSC729280 |
CCG-264798 |
CS-0133 |
NSC-729280 |
QC-2085 |
AC-32080 |
HY-10969 |
J-505411 |
3-Carboxy-2,5-dimethyl-1H-pyrrol-2-ylmethylene)-5-(1H-indol-2-yl)-3-methoxy-2H-pyrrolium, mesylate salt |
Experimental Data
Obatoclax mesylate
| Species | Dosage | Unit | CG Lifespan(AVG/MED days) | TG Lifespan(AVG/MED days) | Lifespan Change(AVG/MED%) | CG Lifespan(MAX days) | TG Lifespan(MAX days) | Lifespan Change(MAX%) | Significant | Strain | Gender | PubMed | Active Label |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 20 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 10 | umol/L | 0 | NS | N2 | 32735859 | Inactive | ||||||
| Caenorhabditis elegans | 5 | umol/L | 0 | S | N2 | 32735859 | Active | ||||||
| Caenorhabditis elegans | 2.5 | umol/L | 0 | S | N2 | 32735859 | Active |
Experimental Data Visualization
Obatoclax mesylate
Statistics Data
Obatoclax mesylate
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 0 | 1 | 4 |
Statistics Data Visualization
Obatoclax mesylate
