UCSF

ZINC01572556

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 19 No

Popular Name: LS-28000 LS-28000

Find On: PubMed — Wikipedia — Google

CAS Numbers: 62717-42-4 , 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 -51.54 4 3 1 57 256.325 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADCY2-2-E Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY3-2-E Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY4-2-E Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY5-2-E Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY6-2-E Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
ADCY8-1-E Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic Eukaryotes 71 0.53 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 26 0.56 Binding ≤ 10μM
Q8CFM9-1-E Adenylate Cyclase Type VII (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.53 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 8800 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 32 0.55 Binding ≤ 1μM
ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 32 0.55 Binding ≤ 1μM
ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 32 0.55 Binding ≤ 1μM
ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 32 0.55 Binding ≤ 1μM
ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 32 0.55 Binding ≤ 1μM
Q8CFM9_RAT Q8CFM9 Adenylate Cyclase Type VII, Rat 32 0.55 Binding ≤ 1μM
ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 32 0.55 Binding ≤ 1μM
D4A3N4_RAT D4A3N4 Brain Adenylate Cyclase 1, Rat 32 0.55 Binding ≤ 1μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 26 0.56 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 160 0.50 Binding ≤ 1μM
ADCY2_RAT P26769 Adenylate Cyclase Type II, Rat 32 0.55 Binding ≤ 10μM
ADCY3_RAT P21932 Adenylate Cyclase Type III, Rat 32 0.55 Binding ≤ 10μM
ADCY4_RAT P26770 Adenylate Cyclase Type IV, Rat 32 0.55 Binding ≤ 10μM
ADCY5_RAT Q04400 Adenylate Cyclase Type V, Rat 32 0.55 Binding ≤ 10μM
ADCY6_RAT Q03343 Adenylate Cyclase Type VI, Rat 32 0.55 Binding ≤ 10μM
Q8CFM9_RAT Q8CFM9 Adenylate Cyclase Type VII, Rat 32 0.55 Binding ≤ 10μM
ADCY8_RAT P40146 Adenylate Cyclase Type VIII, Rat 32 0.55 Binding ≤ 10μM
D4A3N4_RAT D4A3N4 Brain Adenylate Cyclase 1, Rat 32 0.55 Binding ≤ 10μM
DRD1_HUMAN P21728 Dopamine D1 Receptor, Human 26 0.56 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 160 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adenylate cyclase activating pathway
Adenylate cyclase inhibitory pathway
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
PKA activation
PKA activation in glucagon signalling
Vasopressin regulates renal water homeostasis via Aquaporins

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