MU1700 |
MU1700 : Inhibitor of ACVRL1, ACVR1
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary
| Targets | Biochemical/Biophysical Potency | Cellular Potency |
|---|---|---|
| ACVRL1 |
|
|
| ACVR1 |
|
|
Inhibitor
up to 1 uM
Selectivity
In Vitro Selectivity Assessment
BMPR1B
Gene ID: O00238
Organism: Homo sapiens
Family: TKL Ser/Thr protein kinase family
Potency: IC50 - 41 nM
Potency Assay Off-Target:
Selectivity profile of MU1700 was determined by kinome-wide screening against 369 protein kinases at ...
In Cell Selectivity Assessment
Potency Assay Off-Target:
In NanoBRET, MU1700 showed binding affinity of 225 nM for ALK1, 27 nM for ALK2, 497 nM for ALK3, 997 ...
Potency Cellular
In Vitro
ACVRL1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
Other Reference: Peer Reviewed at SGC
ACVR1
Mode of Action: Inhibitor
Structure-Activity-Relationship data available? No
Other Reference: Peer Reviewed at SGC
In Vivo Validations
Mouse
Dose: 20 mg/Kg
Route of delivery:
Oral
Plasma half life:
2.5 h
Systemic clearance:
30 ml/min/kg (IV)
Cmax:
3697 nM
Bioavailability:
79%
Target engagement assay:
At 100 mg/kg PO, Cbrain/Cplasma (4h, 100 mg/kg) of 25 was observed, indicating enrichment in the brain
Other Reference: Peer Reviewed at SGC
Negative Control Compounds
MU1700NC
Notes: Inactive in cellular NanoBRET assays
SMILES:
C1CN(CCN1)C2=CC=C(C=C2)C3=CC4=C(C(=CO4)C5=CC=CC6=C5N=CC=C6)N=C3
Chemical Information
| Molecular Formula | C26H22N4O |
| SMILEs | c1ccc2c(-c3coc4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1 |
| InChI | InChI=1S/C26H22N4O/c1-2-4-24-22(3-1)21(9-10-28-24)23-17-31-25-15-19(16-29-26(23)25)18-5-7-20(8-6-18)30-13-11-27-12-14-30/h1-10,15-17,27H,11-14H2 |
| Molecular weight | 406.18 Da |
| AlogP | 0.0 |
| HBond acceptors | 5 |
| HBond donors | 1 |
| Atoms | 53 |