UCSF

ZINC18161790

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 11 Yes

Popular Name: 3-cyclopropyl-1H-pyrazole-5-carboxylic acid 3-cyclopropyl-1H-pyrazole-5-carb…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 401629-04-7 , 890591-72-7 , [401629-04-7]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.72 2.66 -43.31 1 4 -1 69 151.145 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 193 - 195 Enamine Building Blocks
MP 193...195 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Melting_Point ca 175? dec. Alfa-Aesar
Melting_Point ca 175° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HCAR2-2-E HM74 Nicotinic Acid GPCR (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.76 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 1000 0.76 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (i) signalling events
Hydroxycarboxylic acid-binding receptors

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