Purvalanol A - Small Molecule (ID:10273-101)
| HMS LINCS ID: |
10273-101
|
| Name: | Purvalanol A |
| Alternative Names: | |
| LINCS ID: | LSM-3118 |
| PubChem CID: | 456214 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 388.18 |
| InChi: | InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1 |
| InChi Key: | PMXCMJLOPOFPBT-HNNXBMFYSA-N |
| SMILES: | CC(C)[C@H](CO)NC1=NC2=C(C(=N1)NC3=CC(=CC=C3)Cl)N=CN2C(C)C |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2016-04-04 |
Target Affinity:
(see Study 20000)| Target Affinity Spectrum Value | HUGO Gene Name |
|---|---|
CCNA1, CCNA2, CCNB1, CCNB2, CCNB3, CCNE1, CCNE2, CDC28, CDK1, CDK2, CDK5 | |
2 (equivalent to 100 nM ≤ Kd < 1µM) | CCND1, CDK4, PAK4, SRC |
3 (equivalent to 1µM ≤ Kd < 10 µM) | INSR, MAPK3, PRKACA, PRKACB, PRKACG |
10 (confirmed non-binding) |
Batch Information for HMSL10273-101-1:
| HMS LINCS Batch ID: | 10273-101-1 |
| Provider: | Tocris |
| Provider Batch ID: | |
| Salt: | 101 |
| Molecular Formula: | C19H25ClN6O |
| Molecular Weight: | 388.9 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2012-11-14 |
| Most Recent Update: | 2016-12-02 |
(Kd <100 nM)