UCSF

ZINC28564081

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 22 Yes

Popular Name: (7R)-5-methyl-6-oxo-N-(1,3,4-thiadiazol-2-yl)-7H-furo[2,3-f]indole-7-carboxamide (7R)-5-methyl-6-oxo-N-(1,3,4-thi…

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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) 0.94 4.55 -18.65 1 7 0 88 314.326 2 ↓
Ref Reference (pH 7) 0.94 4.54 -18.61 1 7 0 88 314.326 2 ↓
Hi High (pH 8-9.5) 2.01 3.55 -125.55 0 7 -2 102 312.31 2 ↓
Mid Mid (pH 6-8) 1.94 4.65 -49.27 1 7 -1 96 313.318 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE2A-1-E Phosphodiesterase 2A (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.47 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 40 0.47 Binding ≤ 1μM
PDE2A_HUMAN O00408 Phosphodiesterase 2A, Human 40 0.47 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events

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

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