UCSF

ZINC03828640

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 34 Yes

Popular Name: DNC004210 DNC004210

Find On: PubMed — Wikipedia — Google

CAS Number: 192322-50-2

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) 5.28 10.71 -33.44 5 7 1 111 476.626 7 ↓
Hi High (pH 8-9.5) 5.28 10.33 -18.38 4 7 0 110 475.618 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-1-E Alpha-2a Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 97 0.29 Binding ≤ 10μM
MCHR1-2-E Melanin-concentrating Hormone Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 3500 0.22 Binding ≤ 10μM
NPY1R-1-E Neuropeptide Y Receptor Type 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 8370 0.21 Binding ≤ 10μM
NPY2R-1-E Neuropeptide Y Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1890 0.24 Binding ≤ 10μM
NPY4R-1-E Neuropeptide Y Receptor Type 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 5740 0.22 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.35 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 97 0.29 Binding ≤ 1μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 2.9 0.35 Binding ≤ 1μM
NPY5R_RAT Q63634 Neuropeptide Y Receptor Type 5, Rat 1.4 0.36 Binding ≤ 1μM
ADA2A_HUMAN P08913 Alpha-2a Adrenergic Receptor, Human 97 0.29 Binding ≤ 10μM
MCHR1_HUMAN Q99705 Melanin-concentrating Hormone Receptor 1, Human 3500 0.22 Binding ≤ 10μM
NPY1R_HUMAN P25929 Neuropeptide Y Receptor Type 1, Human 8370 0.21 Binding ≤ 10μM
NPY2R_HUMAN P49146 Neuropeptide Y Receptor Type 2, Human 1890 0.24 Binding ≤ 10μM
NPY4R_HUMAN P50391 Neuropeptide Y Receptor Type 4, Human 5740 0.22 Binding ≤ 10μM
NPY5R_RAT Q63634 Neuropeptide Y Receptor Type 5, Rat 1.4 0.36 Binding ≤ 10μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 2.9 0.35 Binding ≤ 10μM
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 2.9 0.35 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (z) signalling events
Peptide ligand-binding receptors

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

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