RO-3306 - Small Molecule (ID:10104-101)
| HMS LINCS ID: |
10104-101
|
| Name: | RO-3306 |
| Alternative Names: | |
| LINCS ID: | LSM-42788 |
| PubChem CID: | 71433937 |
| ChEBI ID: | |
| ChEMBL ID: | 393929 |
| Molecular Mass: | 351.05 |
| InChi: | InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22) |
| InChi Key: | XOLMRFUGOINFDQ-UHFFFAOYSA-N |
| SMILES: | C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-03-30 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CDK1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CDK2, DYRK1A, DYRK1B, GSK3A, GSK3B, PRKCD, STK17A |
3 (equivalent to 1µM ≤ Kd < 10 µM) | AKT1, AKT2, AKT3, CDK4, EPHB3, FYN, MAPK1, PRKACA, PRKCA, RPS6KA3 |
10 (confirmed non-binding) |
Batch Information for HMSL10104-101-2:
| HMS LINCS Batch ID: | 10104-101-2 |
| Provider: | Sigma-Aldrich |
| Provider Batch ID: | 026M4708V |
| Salt: | 101 |
| Molecular Formula: | C18H13N3OS2 |
| Molecular Weight: | 351.45 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2019-03-29 |
| Most Recent Update: | 2019-03-29 |
(Kd <100 nM)