UCSF

ZINC01319796

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 18 Yes

Popular Name: Cordycepin Cordycepin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 73-03-0 , [73-03-0]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -0.90 -9.23 -13.33 4 8 0 119 251.246 2 ↓
Lo Low (pH 4.5-6) -4.22 -8.97 -33.82 5 8 1 121 252.254 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0022762A1; EP0045944A1; EP0048022A2; EP0090417A2; EP0192315A1; EP0203959A1; EP0203959B1; EP0216510A2; EP0216510B1; EP0216511A2; EP0216511B1; EP0233031B1; EP0275065A2; EP0287313A2; EP0287313B1; EP0411158A1; EP0411158B1; EP0420872A1; EP0420872B1; EP058215 IBM Patent Data
UniProt Database Links S29A3_HUMAN ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA1R-2-E Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 7120 0.40 Binding ≤ 10μM
Z80583-7-O Vero (Kidney Cells) (cluster #7 Of 7), Other Other 1 0.70 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA1R_RAT P25099 Adenosine A1 Receptor, Rat 7120 0.40 Binding ≤ 10μM
Z80583 Z80583 Vero (Kidney Cells) 0.5 0.72 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
G alpha (i) signalling events

Analogs ( Draw Identity 99% 90% 80% 70% )