UCSF

ZINC06529827

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2006 12 Yes

Popular Name: 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid 4,5,6,7-Tetrahydro-1H-indazole-3…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6076-13-7 , 714255-28-4 , [6076-13-7]

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) 1.31 3.91 -44.57 1 4 -1 69 165.172 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 249 - 251 Enamine Building Blocks
MP 249...251 Enamine Building Blocks
MP 254° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
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 4), Eukaryotic Eukaryotes 3500 0.64 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HCAR2_RAT Q80Z39 HM74 Nicotinic Acid GPCR, Rat 3540 0.64 Binding ≤ 10μM
HCAR2_HUMAN Q8TDS4 Nicotinic Acid Receptor 1, Human 3500 0.64 Binding ≤ 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% )