General Information of the Compound
Compound ID
CP0003402
Compound Name
Su-9516
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Synonyms
(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-2,3-dihydro-1H-indol-2-one
(Z)-1,3-DIHYDRO-3-(1H-IMIDAZOL-4-YLMETHYLENE)-5-METHOXY-2H-INDOL-2-ONE
(Z)-3-((1H-imidazol-5-yl)methylene)-5-methoxyindolin-2-one
3-[1-(3H-Imidazol-4-yl)-meth-(Z)-ylidene]-5-methoxy-1,3-dihydro-indol-2-one
377090-84-1
3py0
3py1
666837-93-0
AC1NRD9P
BDBM7238
CHEMBL258805
MLS001074893
SCHEMBL1170686
SCHEMBL1170687
SU 9516
SU-9516
SU9
SU9516
imidazole indolinone driv.
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Structure
Formula
C13H11N3O2
Molecular Weight
241.25
Canonical SMILES
COc1ccc2NC(=O)\C(=C/c3cnc[nH]3)c2c1
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InChI
InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
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InChIKey
QNUKRWAIZMBVCU-WCIBSUBMSA-N
CAS
377090-84-1
Physicochemical Property
logP
1.911
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
67.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
18

"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).

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PubChem ID
CID: 5289419
SID: 14749582
ChEMBL ID
CHEMBL258805
DrugBank ID
DB03428
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: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  2
1
Potency ~ 1258.9 nM
   TI
   LI
   LO
   TS
2
Potency ~ 3264.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT06101, Latent membrane protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
AC50 = 23061 nM
   TI
   LI
   LO
   TS
Protein ID: PT00951, Proto-oncogene tyrosine-protein kinase receptor Ret
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 1600 nM
   TI
   LI
   LO
   TS
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 = 6561.4 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SU9516 )
Drug Name SU9516
Target(s)
Cyclin-dependent kinase 2 (CDK2)
Inhibitor
Cyclin-dependent kinase 5 (CDK5)
Inhibitor
Cyclin-dependent kinase 1 (CDK1)
Binder