A66 - Small Molecule (ID:10203-101)

HMS LINCS ID: 10203-101
Name: A66
Alternative Names:
LINCS ID: LSM-1204
PubChem CID: 42636535
ChEBI ID:
ChEMBL ID:
Molecular Mass: 393.13
InChi: InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
InChi Key: HBPXWEPKNBHKAX-NSHDSACASA-N
SMILES: CC1=C(SC(=N1)NC(=O)N2CCC[C@H]2C(=O)N)C3=CSC(=N3)C(C)(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
1
(Kd <100 nM)
PIK3CA
2
(equivalent to 100 nM ≤ Kd < 1µM)
PIK3C2B
3
(equivalent to 1µM ≤ Kd < 10 µM)
MTOR, PIK3C2A, PIK3CB, PIK3CD, PIK3CG
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
10203-101-1 Haoyuan chemexpress HY-13261-20111104