URMC-099 - Small Molecule (ID:10453-101)
| HMS LINCS ID: |
10453-101
|
| Name: | URMC-099 |
| Alternative Names: | |
| LINCS ID: | |
| PubChem CID: | 54764565 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 421.23 |
| InChi: | InChI=1S/C27H27N5/c1-31-10-12-32(13-11-31)18-19-2-4-20(5-3-19)23-15-24-25(17-30-27(24)29-16-23)21-6-7-26-22(14-21)8-9-28-26/h2-9,14-17,28H,10-13,18H2,1H3,(H,29,30) |
| InChi Key: | QKKIWEILHCXECO-UHFFFAOYSA-N |
| SMILES: | CN1CCN(CC1)CC2=CC=C(C=C2)C3=CN=C4C(=C3)C(=CN4)C5=CC6=C(C=C5)NC=C6 |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
ABL1, FLT1, LRRK2, MAP3K10, MAP3K11, MAP3K9, NTRK1 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | AIM1, AURKA, AURKB, AURKC, CHUK, DLK1, FLT3, IGF1R, IKBKB, INSR, LCK, Map3k11, MAP3K2, MET, NTRK2, ROCK2, SGK1, SYK |
3 (equivalent to 1µM ≤ Kd < 10 µM) | CDK1, CDK2, MAPK1, MAPK8, ROCK1, SRC, ZAP70 |
10 (confirmed non-binding) |
Datasets:
| HMS Dataset ID | Dataset Title | HMS Dataset Type |
|---|---|---|
| 20000 | Target Affinity Spectrum (TAS) vectors for compounds in the HMS LINCS small molecule library. | Analysis |
Batch Information:
| HMS LINCS Batch ID | Provider | Provider Batch ID |
|---|---|---|
| 10453-101-1 | Selleck Chemicals | S734301 |
(Kd <100 nM)