ML-792 0.2μM R08 exp505
Mechanism of Action
Inhibits SUMO-activating enzyme (SAE)
- Class / Subclass 1: Proteostasis / SUMOylation Inhibitor
Technical Notes
Compound References
- PubChem Name: [(1R,2S,4R)-4-[[5-[1-[(3-Bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
- Synonyms: N/A
- CAS #: 1644342-14-2
- PubChem CID: 86566743
- IUPAC: [(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate
- INCHI Name: InChI=1S/C21H23BrN6O5S/c22-15-3-1-2-13(6-15)10-28-5-4-18(27-28)20(30)17-9-24-12-25-21(17)26-16-7-14(19(29)8-16)11-33-34(23,31)32/h1-6,9,12,14,16,19,29H,7-8,10-11H2,(H2,23,31,32)(H,24,25,26)/t14-,16-,19+/m1/s1
- INCHI Key: PZCKLTWSXFDLLP-OGWOLHLISA-N
- Molecular Weight: 551.4
- Canonical SMILES: C1C(CC(C1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
- Isomeric SMILES: C1[C@H](C[C@@H]([C@H]1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br
- Molecular Formula: C21H23BrN6O5S
Compound Supplier
- Supplier Name: MedKoo Biosciences
- Catalog #: 407886
- Lot #: N/A
Compound Characterization
- HRMS (ESI-TOF) m/z: (M+H)+ Calcd for C21H23BrN6O5S 551.07068; found 551.07542
Dose Response Curve
- Platform ID: ML792
- Min: 4.4131; Max: 87.1935
| IC | Concentration (µM) |
|---|---|
| IC10 | 0.0014 |
| IC20 | 0.0085 |
| IC30 | 0.0286 |
| IC40 | 0.0774 |
| IC50 | 0.1928 |
| IC60 | 0.4805 |
| IC70 | 1.2990 |
| IC80 | 4.3720 |
| IC90 | 27.1400 |
Screen Summary
- Round: 08
- Dose: 200nM
- Days of incubation: 8
- Doublings: 2.5
- Numbers of reads: 16377589
Screen Results
| Sensitive/Resistant hits (FDR<0.05) | CRANKS | Score Plot | Top 30 Genes | Screen Similarity | Top 30 Sensitive GO terms | Top 30 Resistant GO terms |
|---|---|---|---|---|---|---|
| 9/77 | Scores |
ML-792 0.2μM R08 exp505
ML-792 0.2μM R08 exp505 vs THZ531 0.225μM R08 exp444
ML-792 0.2μM R08 exp505 vs MLN-4924 0.2μM R00 exp21
ML-792 0.2μM R08 exp505 vs THZ531 0.11 to 0.125 to 0.35μM on day4 then day6 R07 exp412
ML-792 0.2μM R08 exp505 vs THZ531 0.11 to 0.175μM on day4 R07 exp413
ML-792 0.2μM R08 exp505 vs Staurosporine 0.02μM R08 exp524
ML-792 0.2μM R08 exp505 vs Olaparib 4μM R08 exp512
ML-792 0.2μM R08 exp505 vs MS023 2μM R03 exp134
ML-792 0.2μM R08 exp505 vs Sulforaphane 9μM R08 exp526 no dilution day6
ML-792 0.2μM R08 exp505 vs Nifuroxazide 5μM R03 exp102
ML-792 0.2μM R08 exp505 vs MS023 7μM R03 exp135
ML-792 0.2μM R08 exp505 vs Rucaparib 6.5μM R08 exp520
Ethanol 0.01 R05 exp234 vs ML-792 0.2μM R08 exp505
AICAR 240μM R05 exp211 vs ML-792 0.2μM R08 exp505
AICAR 240μM R03 exp116 vs ML-792 0.2μM R08 exp505
GSK626616 14μM R08 exp485 vs ML-792 0.2μM R08 exp505
Lead acetate 2000μM R08 exp497 vs ML-792 0.2μM R08 exp505
CB-5083 0.4μM R08 exp468 vs ML-792 0.2μM R08 exp505
Bortezomib 0.005μM R00 exp6 vs ML-792 0.2μM R08 exp505
Aphidicolin 0.4μM R08 exp440 vs ML-792 0.2μM R08 exp505
Latrunculin-B 10μM R07 exp374 vs ML-792 0.2μM R08 exp505
2-Deoxy-D-glucose 800μM R05 exp214 vs ML-792 0.2μM R08 exp505
LY2090314 0.003μM R08 exp500 no dilution day6 vs ML-792 0.2μM R08 exp505
