UCSF

ZINC01996374

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 19 No

Popular Name: SKF-38393 SKF-38393

Find On: PubMed — Wikipedia — Google

CAS Numbers: 62717-42-4 , 67287-49-4 , 81633-77-4

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) 1.94 3.4 -52.46 4 3 1 57 256.325 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA2A-3-E Alpha-2a Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 3050 0.41 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 3050 0.41 Binding ≤ 10μM
ADA2C-3-E Alpha-2c Adrenergic Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 3050 0.41 Binding ≤ 10μM
ADCY2-2-E Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY2-2-E Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
ADCY3-2-E Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY3-2-E Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
ADCY4-2-E Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY4-2-E Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
ADCY5-2-E Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY5-2-E Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
ADCY6-2-E Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY6-2-E Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
ADCY8-1-E Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY8-1-E Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic Eukaryotes 100 0.52 Binding ≤ 10μM
D4A3N4-1-E Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.56 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 59 0.53 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 124 0.51 Binding ≤ 10μM
Q8CFM9-1-E Adenylate Cyclase Type VII (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.44 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 6870 0.38 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 8800 0.37 Binding ≤ 10μM
Z50597-12-O Rattus Norvegicus (cluster #12 Of 12), Other Other 80 0.52 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 100 0.52 Binding ≤ 1μM
ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 100 0.52 Binding ≤ 1μM
ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 100 0.52 Binding ≤ 1μM
ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 100 0.52 Binding ≤ 1μM
ADCY5_HUMAN O95622 Adenylate Cyclase Type V, Human 80 0.52 Binding ≤ 1μM
ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 100 0.52 Binding ≤ 1μM
Q8CFM9_RAT Q8CFM9 Adenylate Cyclase Type VII, Rat 32 0.55 Binding ≤ 1μM
ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 100 0.52 Binding ≤ 1μM
D4A3N4_RAT D4A3N4 Brain Adenylate Cyclase 1, Rat 32 0.55 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 130 0.51 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 100 0.52 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 160 0.50 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 124 0.51 Binding ≤ 1μM
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 100 0.52 Binding ≤ 10μM
ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 100 0.52 Binding ≤ 10μM
ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 100 0.52 Binding ≤ 10μM
ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 100 0.52 Binding ≤ 10μM
ADCY5_HUMAN O95622 Adenylate Cyclase Type V, Human 80 0.52 Binding ≤ 10μM
ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 100 0.52 Binding ≤ 10μM
Q8CFM9_RAT Q8CFM9 Adenylate Cyclase Type VII, Rat 32 0.55 Binding ≤ 10μM
ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 100 0.52 Binding ≤ 10μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 3050 0.41 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 3050 0.41 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 3050 0.41 Binding ≤ 10μM
D4A3N4_RAT D4A3N4 Brain Adenylate Cyclase 1, Rat 32 0.55 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 130 0.51 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 100 0.52 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2900 0.41 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 4670 0.39 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 124 0.51 Binding ≤ 10μM
DRD1_CARAU P35406 Dopamine D1 Receptor, Carau 950 0.44 Functional ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 56 0.53 Functional ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 80 0.52 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenylate cyclase activating pathway
Adenylate cyclase inhibitory pathway
Adrenaline signalling through Alpha-2 adrenergic receptor
Adrenaline,noradrenaline inhibits insulin secretion
Adrenoceptors
CREB phosphorylation through the activation of Adenylate Cyclase
Dopamine receptors
G alpha (i) signalling events
G alpha (s) signalling events
G alpha (z) signalling events
Glucagon signaling in metabolic regulation
Glucagon-like Peptide-1 (GLP1) regulates insulin secretion
PKA activation
PKA activation in glucagon signalling
Vasopressin regulates renal water homeostasis via Aquaporins

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