UCSF

ZINC13523524

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 26 Yes

Popular Name: Protirelin Protirelin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 24305-27-9 , [24305-27-9]

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) -2.03 0.28 -25.61 5 10 0 150 362.39 6 ↓
Ref Reference (pH 7) -2.03 -0.61 -29.77 5 10 0 150 362.39 6 ↓
Mid Mid (pH 6-8) -2.03 -0.16 -55.16 6 10 1 152 363.398 6 ↓
Mid Mid (pH 6-8) -2.03 -0.09 -54.89 6 10 1 152 363.398 6 ↓

Vendor Notes

Note Type Comments Provided By
Therapy prothyrotropin SMDC Pharmakon

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRFR-1-E Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.41 Binding ≤ 10μM
TRFR-1-E Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 42 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRFR_RAT Q01717 Thyrotropin-releasing Hormone Receptor, Rat 42.3 0.40 Binding ≤ 1μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.49 0.50 Binding ≤ 1μM
TRFR_RAT Q01717 Thyrotropin-releasing Hormone Receptor, Rat 42.3 0.40 Binding ≤ 10μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.49 0.50 Binding ≤ 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% )