UCSF

ZINC13025778

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2008 34 Yes

Popular Name: N-[(1S)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxo-ethyl]-N-(2,4-dimethoxyphenyl)furan-2-carboxam N-[(1S)-2-(cyclopentylamino)-1-(…

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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) 4.58 10.99 -14.76 1 7 0 81 466.509 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C5AR-1-E C5a Anaphylatoxin Chemotactic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 79 0.29 Binding ≤ 10μM
C5AR-1-E C5a Anaphylatoxin Chemotactic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 126 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 251.188643 0.27 Binding ≤ 1μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 251.188643 0.27 Binding ≤ 10μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 125.892541 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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

No pre-computed analogs available. Try a structural similarity search.