UCSF

ZINC22064446

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 18 Yes

Popular Name: (+)-PHNO hydrochloride (+)-PHNO hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 88058-88-2 , 99705-65-4

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) 2.64 3.08 -8.58 1 3 0 33 247.338 2 ↓

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 85 0.55 Binding ≤ 10μM
ADA2B-1-E Alpha-2b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 85 0.55 Binding ≤ 10μM
ADA2C-1-E Alpha-2c Adrenergic Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 85 0.55 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 6 0.64 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 3 0.66 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 9 0.63 Binding ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 23 0.59 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 116 0.54 Binding ≤ 1μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 116 0.54 Binding ≤ 1μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 116 0.54 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 19.6 0.60 Binding ≤ 1μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 8.5 0.63 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 19.6 0.60 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 19.6 0.60 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.16 0.76 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 19.6 0.60 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 19.6 0.60 Binding ≤ 1μM
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 116 0.54 Binding ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 116 0.54 Binding ≤ 10μM
ADA2C_RAT P22086 Alpha-2c Adrenergic Receptor, Rat 116 0.54 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 19.6 0.60 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 8.5 0.63 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 19.6 0.60 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 19.6 0.60 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.16 0.76 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 19.6 0.60 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 19.6 0.60 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 6.24 0.64 Functional ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 0.199526231 0.75 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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