General Information of the Compound
Compound ID
CP0041381
Compound Name
5-indazolyl pyridine 11g
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Synonyms
A 674563
A-674563
A674563
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Structure
Formula
C22H22N4O
Molecular Weight
358.445
Canonical SMILES
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1
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InChI
InChI=1S/C22H22N4O/c1-15-21-11-17(7-8-22(21)26-25-15)18-10-20(13-24-12-18)27-14-19(23)9-16-5-3-2-4-6-16/h2-8,10-13,19H,9,14,23H2,1H3,(H,25,26)/t19-/m0/s1
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InChIKey
BPNUQXPIQBZCMR-IBGZPJMESA-N
Physicochemical Property
logP
3.88212
Rotatable Bonds
6
Heavy Atom Count
27
Polar Areas
76.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
27

"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: 11314340
SID: 16403555
ChEMBL ID
CHEMBL379218
DrugBank ID
DB08568
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: PT00845, RAC-alpha serine/threonine-protein kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM
2 IC50 = 125 nM
3 IC50 = 180 nM
4 Kd = 76 nM
5 Ki = 11 nM
Clinical Information about the Compound
Drug 1 ( A-674563 )
Drug Name A-674563
Target(s)
RAC-alpha serine/threonine-protein kinase (AKT1)
Inhibitor