UCSF

ZINC01482927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 18th, 2005 42 No

Popular Name: SR-48692 SR-48692

Find On: PubMed — Wikipedia — Google

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) 4.20 -0.71 -71.82 1 9 -1 118 586.068 7 ↓
Lo Low (pH 4.5-6) 4.20 -0.62 -90.23 2 9 0 119 587.076 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NTR1-2-E Neurotensin Receptor 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 9 0.27 Binding ≤ 10μM
NTR2-1-E Neurotensin Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.28 Binding ≤ 10μM
Z80166-1-O HT-29 (Colon Adenocarcinoma Cells) (cluster #1 Of 12), Other Other 160 0.23 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NTR1_HUMAN P30989 Neurotensin Receptor 1, Human 0.99 0.30 Binding ≤ 1μM
NTR1_MOUSE O88319 Neurotensin Receptor 1, Mouse 3.9 0.28 Binding ≤ 1μM
NTR2_MOUSE P70310 Neurotensin Receptor 2, Mouse 3.9 0.28 Binding ≤ 1μM
NTR1_HUMAN P30989 Neurotensin Receptor 1, Human 0.99 0.30 Binding ≤ 10μM
NTR1_MOUSE O88319 Neurotensin Receptor 1, Mouse 3.9 0.28 Binding ≤ 10μM
NTR2_MOUSE P70310 Neurotensin Receptor 2, Mouse 3.9 0.28 Binding ≤ 10μM
Z80166 Z80166 HT-29 (Colon Adenocarcinoma Cells) 160 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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

No pre-computed analogs available. Try a structural similarity search.