Doxorubicin - Small Molecule (ID:10248-101)

HMS LINCS ID: 10248-101
Name: Doxorubicin
Alternative Names: Adriamycin
LINCS ID: LSM-4062
PubChem CID: 31703
ChEBI ID:
ChEMBL ID:
Molecular Mass: 543.17
InChi: InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1
InChi Key: AOJJSUZBOXZQNB-TZSSRYMLSA-N
SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O
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)
AURKA
2
(equivalent to 100 nM ≤ Kd < 1µM)
TOP2A, TOP2B
3
(equivalent to 1µM ≤ Kd < 10 µM)
MMP2
10
(confirmed non-binding)
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Batch Information for HMSL10248-101-1:

HMS LINCS Batch ID: 10248-101-1
Provider: J Park (UCSF)
Provider Batch ID:
Salt: 101
Molecular Formula:
Molecular Weight:
Purity:
Purification Method:
Chemical Synthesis Reference:
Comments:
Date Publicly Available: 2012-11-14
Most Recent Update: 2016-12-02