UCSF

ZINC04272052

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2005 33 No

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) 1.12 2.79 -51.66 3 9 -1 163 483.503 5

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P2RX1-1-E P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.26 Binding ≤ 10μM
P2RX1-1-E P2X Purinoceptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7500 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 800 0.26 Binding ≤ 1μM
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 800 0.26 Binding ≤ 10μM
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 7500 0.22 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Elevation of cytosolic Ca2+ levels
Platelet homeostasis

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