General Information of the Compound
Compound ID
CP0005674
Compound Name
(Z)-1H,1''H-[2,3'']Biindolylidene-3,2''-dione 3-oxime
    Show/Hide
Synonyms
(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-3,2'-DIONE-3-OXIME
160807-49-8
3-[1,3-dihydro-3-(hydroxyimino)-2H-indol-2-ylidene]-1,3-dihydro-2H-indol-2-one
3-[3-(Hydroxyamino)-1H-indol-2-yl]indol-2-one
667463-82-3
BiomolKI_000070
CHEBI:43645
CHEMBL126077
CHEMBL216543
INDIRUBIN-3'-MONOXIME
IXM
Indirubin 3'-monoxime
Indirubin 3-oxime
Indirubin-3
Indirubin-3&amp
Indirubin-3'-monoxime
Indirubin-3-monoxime
Indirubin-3-oxime
Indirubin-3monoxime
SR-01000075929
Tocris-1813
UNM-0000305771
indirubin-3'-monooxime
indirubin-3'-oxime
indirubin-3-oxime
    Show/Hide
Structure
Formula
C16H11N3O2
Molecular Weight
277.283
Canonical SMILES
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O
    Show/Hide
InChI
InChI=1S/C16H11N3O2/c20-16-13(9-5-1-3-7-11(9)18-16)15-14(19-21)10-6-2-4-8-12(10)17-15/h1-8,17-18,20H
    Show/Hide
InChIKey
FQCPPVRJPILDIK-UHFFFAOYSA-N
Physicochemical Property
logP
4.4197
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
81.24
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 3707
ChEMBL ID
CHEMBL126077
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 3288.5 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Indirubin-3'-monoxime )
Drug Name Indirubin-3'-monoxime
Target(s)
Aurora B messenger RNA (AURKB mRNA)
Inhibitor
Aurora kinase A (AURKA)
Inhibitor
Aurora kinase C (AURKC)
Inhibitor
Cyclin-dependent kinase 2 (CDK2)
Inhibitor
Cyclin-dependent kinase 5 (CDK5)
Inhibitor
Cyclin-dependent kinase 1 (CDK1)
Binder