UCSF

ZINC33820130

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 26 No

Popular Name: 6-[(4-azido-3-iodo-phenyl)methyl]-4-isobutyl-2-methyl-pyrrolo[3,4-d]pyridazin-1-one 6-[(4-azido-3-iodo-phenyl)methyl…

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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) 5.33 9.32 -18.47 0 7 0 90 462.295 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MOT1-1-E Monocarboxylate Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 23 0.41 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MOT1_HUMAN P53985 Monocarboxylate Transporter 1, Human 23 0.41 Binding ≤ 1μM
MOT1_HUMAN P53985 Monocarboxylate Transporter 1, Human 23 0.41 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Basigin interactions
Proton-coupled monocarboxylate transport
Pyruvate metabolism

Rings

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

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