General Information of the Compound
Compound ID
CP0885138
Compound Name
SID50105830
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Synonyms
Pimagedine HCl
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Structure
Formula
CH7ClN4
Molecular Weight
110.548
Canonical SMILES
Cl.N=C(N)NN
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InChI
InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H
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InChIKey
UBDZFAGVPPMTIT-UHFFFAOYSA-N
Physicochemical Property
logP
-1.23503
Rotatable Bonds
0
Heavy Atom Count
6
Polar Areas
87.92
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
2
Complexity
6

"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: 85468708
SID: 16324503
ChEMBL ID
CHEMBL1256292
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)  1
1
Potency ~ 13 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Pimagedine HCl )
Drug Name Pimagedine HCl
Company Synvista Therapeutics
Indication
Diabetic kidney disease
Phase 2/3
Target(s)
Nitric-oxide synthase inducible (NOS2)
Inhibitor