UCSF

ZINC27406554

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 41 No

Popular Name: 1-amino-4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulfo-phenyl]amino]-9,10-dioxo-anthracene-2 1-amino-4-[[4-[(4,6-dichloro-1,3…

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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 4.71 -103.11 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 1600 0.20 Functional ≤ 10μM
P2RY1-1-E P2Y Purinoceptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2RX1_RAT P47824 P2X Purinoceptor 1, Rat 1600 0.20 Functional ≤ 10μM
P2RY1_HUMAN P47900 Purinergic Receptor P2Y1, Human 1000 0.20 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ADP signalling through P2Y purinoceptor 1
Elevation of cytosolic Ca2+ levels
G alpha (q) signalling events
P2Y receptors
Platelet homeostasis

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