UCSF

ZINC06830021

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2006 41 No

Popular Name: 1-Amino-4-(2'-(4",6"-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid; 2-Anthracenesulfonic acid, 1-amino-4-((3-((4,6-dichloro-1,3,5-triazin-2-yl)amino)-4-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-; 2-Anth 1-Amino-4-(2'-(4",6"-dichloro-s-…

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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) 0.56 4.68 -94.13 4 14 -2 237 635.423 6 ↓

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 422 0.22 Functional ≤ 10μM
P2RX2-1-E P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.24 Functional ≤ 10μM
P2RX3-1-E P2X Purinoceptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 494 0.22 Functional ≤ 10μM
P2RY2-1-E Purinergic Receptor P2Y2 (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.17 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 422 0.22 Functional ≤ 10μM
P2RX2_RAT P49653 P2X Purinoceptor 2, Rat 1042 0.20 Functional ≤ 10μM
P2RX3_RAT P49654 P2X Purinoceptor 3, Rat 1042 0.20 Functional ≤ 10μM
P2RY2_HUMAN P41231 Purinergic Receptor P2Y2, Human 10000 0.17 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Elevation of cytosolic Ca2+ levels
G alpha (q) signalling events
P2Y receptors
Platelet homeostasis

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