Compound Summary
Compound Information
1260907-17-2
Compound Name: | 1260907-17-2 |
Compound CID: | 46943432 |
Synonyms: | 1260907-17-2 molibresib I-BET-762 GSK 525762A GSK525762A More... |
Iupac Name: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide |
InChI: | InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 |
InChIKey: | AAAQFGUYHFJNHI-SFHVURJKSA-N |
Canonical Smiles: | CCNC(=O)CC1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C |
Isomeric Smiles: | CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C |
Molecular Weight: | 423.9 |
Molecular Formula: | C22H22ClN5O2 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
1260907-17-2
Molecular Weight: | 423.9 |
Molecular Formula: | C22H22ClN5O2 |
Hydrogen Bond Donor Count: | 1 |
Hydrogen Bond Acceptor Count: | 5 |
Rotatable Bond Count: | 5 |
Heavy Atom Count: | 30 |
Complexity: | 639 |
Synonyms
1260907-17-2
| 1260907-17-2 | 1260907-17-2 |
|---|---|
1260907-17-2 |
molibresib |
I-BET-762 |
GSK 525762A |
GSK525762A |
I-BET762 |
GSK-525762 |
I-BET 762 |
GSK525762 |
UNII-5QIO6SRZ2R |
(S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzof1,2,4triazolo4,3-a1,4diazepin-4-yl)-N-ethylacetamide |
5QIO6SRZ2R |
GSK-525762A |
GSK-525762A (I-BET 762) |
2-(4s)-6-(4-Chlorophenyl)-8-Methoxy-1-Methyl-4h-1,2,4triazolo4,3-A1,4benzodiazepin-4-Yl-N-Ethylacetamide |
CHEMBL1232461 |
CS-0717 |
4H-1,2,4Triazolo4,3-a1,4benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-, (4S)- |
Bet inhibitor GSK525762 |
2yek |
iBET |
(S)-2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo-f1,2,4triazolo4,3-a1,4diazepin-4-yl)-N-ethylacetamide |
EAM |
Molibresib (USAN) |
3p5o |
GTPL7033 |
SCHEMBL1872390 |
CHEBI:95082 |
AOB2188 |
DTXSID60677590 |
EX-A462 |
BCP07337 |
BDBM50365463 |
MFCD22417091 |
NSC774829 |
s7189 |
ZINC58655571 |
AKOS025404837 |
ACN-030386 |
CCG-208698 |
NSC-774829 |
NCGC00263621-02 |
NCGC00263621-04 |
NCGC00263621-06 |
AC-32712 |
AS-16364 |
BP-23442 |
HY-13032 |
QC-11690 |
GSK-525762A(I-BET-762) |
I-BET762, >=98% (HPLC) |
B1498 |
SW220225-1 |
Y1399 |
D11326 |
J-005327 |
Q27078016 |
(4S)-6-(4-Chlorophenyl)-N-ethyl-8-methoxy-1-methyl-4H-1,2,4triazolo4,3-a1,4benzodiazepine-4-acetamide |
2-(4S)-6-(4-Chlorophenyl)-1-methyl-8-(methyloxy)-4H-1,2,4triazolo4,3-a1,4benzodiazepin-4-yl-N-ethylacetamide |
Experimental Data
1260907-17-2
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | 200 | umol/L | 45.82 | 44.77 | -2.295 | NS | MALES | 33008901 | Inactive | ||||
| Drosophila melanogaster | 20 | umol/L | 49.36 | 47.53 | -3.696 | NS | FEMALES | 33008901 | Inactive |
Experimental Data Visualization
1260907-17-2
Statistics Data
1260907-17-2
| Species | Lifespan Change(AVG/MED%) | Lifespan Change(MAX%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Drosophila melanogaster | -2.295 | 1 | 2 |
Statistics Data Visualization
1260907-17-2
