UCSF

ZINC56843483

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 44 No

Popular Name: (4R)-4-[[4-[(3S)-3-hydroxy-1-piperidyl]-6-phenyl-pyridine-2-carbonyl]amino]-5-oxo-5-(4-pentoxycarbon (4R)-4-[[4-[(3S)-3-hydroxy-1-pip…

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Annotations

Vendors

    None

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) 3.08 10.41 -56.99 3 12 0 157 609.724 13 ↓
Hi High (pH 8-9.5) 3.08 10.04 -60.2 2 12 -1 155 608.716 13 ↓

Activity (Go SEA)

ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P2Y12_HUMAN Q9H244 Purinergic Receptor P2Y12, Human 16 0.25 Binding ≤ 1μM
P2Y12_HUMAN Q9H244 Purinergic Receptor P2Y12, Human 16 0.25 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

Rings

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

No pre-computed analogs available. Try a structural similarity search.