UCSF

ZINC01481744

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 27 No

Popular Name: (+)-butaclamol (+)-butaclamol

Find On: PubMed — Wikipedia — Google

CAS Number: 36504-94-6

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) 4.96 0.22 -41.6 2 2 1 24 362.537 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AA3R-3-E Adenosine Receptor A3 (cluster #3 Of 6), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 50 0.38 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.42 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 2 0.45 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 2 0.45 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
Z104303-1-O Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other Other 5200 0.27 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 5 0.43 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 4 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 8.9 0.42 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 50 0.38 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 0.2 0.50 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.6 0.48 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.2 0.50 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.2 0.50 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.4 0.46 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 185 0.35 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 0.2 0.50 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 0.2 0.50 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 50 0.38 Binding ≤ 1μM
AA3R_HUMAN P33765 Adenosine A3 Receptor, Human 8.9 0.42 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 50 0.38 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 0.2 0.50 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.6 0.48 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 0.2 0.50 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 0.2 0.50 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 1.4 0.46 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 0.2 0.50 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 185 0.35 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 0.2 0.50 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 50 0.38 Binding ≤ 10μM
Z104303 Z104303 Muscarinic Acetylcholine Receptor 5200 0.27 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 0.1 0.52 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 0.4 0.49 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenosine P1 receptors
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events

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