UCSF

ZINC05024318

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 19 Yes

Popular Name: 4-chloro-9-(2-iodophenyl)-8-oxa-10-azabicyclo[4.4.0]deca-2,4,9,11-tetraen-7-one 4-chloro-9-(2-iodophenyl)-8-oxa-…

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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) 4.89 1 -6.84 0 3 0 43 383.572 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C1R-1-E Complement C1r (cluster #1 Of 1), Eukaryotic Eukaryotes 7800 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C1R_HUMAN P00736 Complement C1r, Human 3000 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Classical antibody-mediated complement activation
Initial triggering of complement

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

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