UCSF

ZINC03812548

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 28 Yes

Popular Name: U-101387 U-101387

Find On: PubMed — Wikipedia — Google

CAS Numbers: 170857-36-0 , 170858-34-1

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) 2.46 6.2 -54.67 3 6 1 77 402.54 5 ↓
Mid Mid (pH 6-8) 2.46 4 -12.82 2 6 0 76 401.532 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 5800 0.26 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 7 0.41 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 7 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 7.2 0.41 Binding ≤ 1μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 6.8 0.41 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 5800 0.26 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 7.2 0.41 Binding ≤ 10μM
DRD4_HUMAN P21917 Dopamine D4 Receptor, Human 6.8 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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