UCSF

ZINC04096261

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 0.18 -23.59 5 10 0 150 362.39 6
Mid Mid (pH 6-8) -2.03 0.01 -48.98 6 10 1 152 363.398 6
Mid Mid (pH 6-8) -1.91 -8.71 -54.13 6 10 1 160 363.398 6
Mid Mid (pH 6-8) -1.91 -10.03 -22.33 5 10 0 158 362.39 6
Mid Mid (pH 6-8) -1.91 -9.27 -22.9 5 10 0 158 362.39 6
Mid Mid (pH 6-8) -1.91 -8.91 -58.35 6 10 1 160 363.398 6
Mid Mid (pH 6-8) -2.03 -0.51 -25.71 5 10 0 150 362.39 6
Mid Mid (pH 6-8) -2.03 0.02 -48.79 6 10 1 152 363.398 6

Vendor Notes

Note Type Comments Provided By
UniProt Database Links AKT1_DROME; IGSF1_MOUSE; PH4H_DICDI; PH4H_DROME; TRFR_BOVIN; TRFR_CHICK; TRFR_HUMAN; TRFR_MOUSE; TRFR_RAT; TRFR_SHEEP; TRHA_XENLA; TRHB_XENLA; TRHDE_HUMAN; TRHDE_MOUSE; TRHDE_RAT; TRH_BOMOR; TRH_CARAU; TRH_CHICK; TRH_CYPCA; TRH_DANRE; TRH_HUMAN; TRH_MOUSE ChEBI
Therapy prothyrotropin SMDC Pharmakon
Indications thyrotrophin releasing hormone KeyOrganics Bioactives
Indications thyrotrophin releasing hormone, epilepsy KeyOrganics Bioactives
Patent Database Links WO2007125318 ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9R297-1-E Thyrotropin-releasing Hormone Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
TRFR-1-E Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Binding ≤ 10μM
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
Q9R297-1-E Thyrotropin-releasing Hormone Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Functional ≤ 10μM
TRFR-1-E Thyrotropin-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.46 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRFR_RAT Q01717 Thyrotropin-releasing Hormone Receptor, Rat 20 0.41 Binding ≤ 1μM
TRFR_HUMAN P34981 Thyrotropin-releasing Hormone Receptor, Human 20 0.41 Binding ≤ 1μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.49 0.50 Binding ≤ 1μM
Q9R297_RAT Q9R297 Thyrotropin-releasing Hormone Receptor 2, Rat 10 0.43 Binding ≤ 1μM
TRFR_RAT Q01717 Thyrotropin-releasing Hormone Receptor, Rat 20 0.41 Binding ≤ 10μM
TRFR_HUMAN P34981 Thyrotropin-releasing Hormone Receptor, Human 20 0.41 Binding ≤ 10μM
TRFR_MOUSE P21761 Thyrotropin-releasing Hormone Receptor, Mouse 0.49 0.50 Binding ≤ 10μM
Q9R297_RAT Q9R297 Thyrotropin-releasing Hormone Receptor 2, Rat 10 0.43 Binding ≤ 10μM
TRFR_HUMAN P34981 Thyrotropin-releasing Hormone Receptor, Human 3 0.46 Functional ≤ 10μM
Q9R297_RAT Q9R297 Thyrotropin-releasing Hormone Receptor 2, Rat 3 0.46 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% )