UCSF

ZINC03873984

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 33 No

Popular Name: 1-Amino-2-sulfo-4-(4'-amino-3'-sulfoanilino)anthraquinone; 1-Amino-4-(4-amino-3-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid; 2-Anthracenesulfonic acid, 1-amino-4-((4-amino-3-sulfophenyl)amino)-9,10-dihydro-9,10-dioxo-; 2-Anthracenesu 1-Amino-2-sulfo-4-(4'-amino-3'-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) -1.63 -15.33 -100.23 5 11 -2 212 487.471 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5NTD-1-E 5'-nucleotidase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.21 Binding ≤ 10μM
P2Y12-1-E Purinergic Receptor P2Y12 (cluster #1 Of 2), Eukaryotic Eukaryotes 2390 0.24 Binding ≤ 10μM
P2RX2-1-E P2X Purinoceptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
5NTD_RAT P21588 5'-nucleotidase, Rat 10000 0.21 Binding ≤ 10μM
P2Y12_HUMAN Q9H244 Purinergic Receptor P2Y12, Human 2390 0.24 Binding ≤ 10μM
P2RX2_RAT P49653 P2X Purinoceptor 2, Rat 1000 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ADP signalling through P2Y purinoceptor 12
G alpha (i) signalling events
P2Y receptors

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