UCSF

ZINC01628222

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 18 Yes

Popular Name: 2-(4-chloro-2-cyclohexylphenoxy)acetic acid 2-(4-chloro-2-cyclohexylphenoxy)…

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CAS Number: 19774-97-1

Other Names:

DNC007993

MFCD09048751

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) 3.73 1.13 -46.07 0 3 -1 49 267.732 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 167 - 169 Enamine Building Blocks
MP 167...169 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GPR44-1-E G Protein-coupled Receptor 44 (cluster #1 Of 1), Eukaryotic Eukaryotes 154 0.53 Binding ≤ 10μM
PD2R-2-E Prostanoid DP Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 7600 0.40 Binding ≤ 10μM
PE2R2-1-E Prostanoid EP2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 3000 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GPR44_HUMAN Q9Y5Y4 G Protein-coupled Receptor 44, Human 154 0.53 Binding ≤ 1μM
GPR44_HUMAN Q9Y5Y4 G Protein-coupled Receptor 44, Human 154 0.53 Binding ≤ 10μM
PD2R_HUMAN Q13258 Prostanoid DP Receptor, Human 7600 0.40 Binding ≤ 10μM
PE2R2_HUMAN P43116 Prostanoid EP2 Receptor, Human 3000 0.43 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (s) signalling events
Prostanoid ligand receptors

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