UCSF

ZINC01383149

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 27 No

Popular Name: HT-2157 HT-2157

Find On: PubMed — Wikipedia — Google

CAS Number: 303149-14-6

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) 5.45 11.41 -12.04 0 3 0 34 366.342 3 ↓
Ref Reference (pH 7) 5.45 11.61 -8.99 0 3 0 34 366.342 3 ↓

Vendor Notes

Note Type Comments Provided By
Indications antidependency KeyOrganics Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
5HT4R-1-E Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.37 Binding ≤ 10μM
GALR3-1-E Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GALR3_HUMAN O60755 Galanin Receptor 3, Human 17 0.40 Binding ≤ 1μM
5HT4R_HUMAN Q13639 Serotonin 4 (5-HT4) Receptor, Human 72 0.37 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 17 0.40 Binding ≤ 10μM
5HT4R_HUMAN Q13639 Serotonin 4 (5-HT4) Receptor, Human 72 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (s) signalling events
Peptide ligand-binding receptors
Serotonin receptors

Rings

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

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