UCSF

ZINC22309089

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 18 No

Popular Name: L-690,330 L-690,330

Find On: PubMed — Wikipedia — Google

CAS Number: 142523-38-4

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) -0.59 -2.74 -231.71 2 8 -3 153 295.1 4 ↓
Hi High (pH 8-9.5) -0.59 -1.67 -392.57 1 8 -4 156 294.092 4 ↓
Mid Mid (pH 6-8) -0.59 -3.8 -114.5 3 8 -2 150 296.108 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMPA1-2-E Inositol-1(or 4)-monophosphatase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 330 0.50 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMPA1_BOVIN P20456 Inositol-1(or 4)-monophosphatase 1, Bovin 330 0.50 Binding ≤ 1μM
IMPA1_BOVIN P20456 Inositol-1(or 4)-monophosphatase 1, Bovin 330 0.50 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Synthesis of IP2, IP, and Ins in the cytosol

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

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