UCSF

ZINC14951634

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 42 No

Popular Name: DNC006750 DNC006750

Find On: PubMed — Wikipedia — Google

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) 1.33 5.04 -25.38 7 10 0 168 571.678 12 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NK1R-1-E Neurokinin 1 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.27 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 8360 0.17 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 9230 0.17 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8360 0.17 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 8 0.27 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.27 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 510 0.21 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 8 0.27 Functional ≤ 10μM
Q8CGM4-1-E Mu-opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.27 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 8 0.27 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 344 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 8.23 0.27 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 48.2 0.24 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 8.23 0.27 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 10.6 0.27 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 14.7 0.26 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 24.1 0.25 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.69 0.31 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.1 0.33 Binding ≤ 1μM
NK1R_RAT P14600 Neurokinin 1 Receptor, Rat 8.7 0.27 Binding ≤ 1μM
OPRD_PIG P79291 Delta Opioid Receptor, Pig 8360 0.17 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 8.23 0.27 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2300 0.19 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 48.2 0.24 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 8.23 0.27 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 10.6 0.27 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 14.7 0.26 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 24.1 0.25 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.69 0.31 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.1 0.33 Binding ≤ 10μM
NK1R_RAT P14600 Neurokinin 1 Receptor, Rat 8.7 0.27 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 5.79 0.27 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 15.3 0.26 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.1 0.33 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 13.7 0.26 Functional ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 16.79 0.26 Functional ≤ 10μM
Q8CGM4_CAVPO Q8CGM4 Mu-opioid Receptor, Guinea Pig 9.67 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 15.3 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors
Tachykinin receptors bind tachykinins

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

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