UCSF

ZINC26842207

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 19 Yes

Popular Name: 4-isopropyl-3-methyl-2-(4-methylpiperazine-1-carbonyl)isoxazol-5-one 4-isopropyl-3-methyl-2-(4-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) 0.91 8.28 -45.26 1 6 1 60 268.337 1 ↓
Mid Mid (pH 6-8) 0.91 5.89 -7.35 0 6 0 59 267.329 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LIPS-1-E Hormone Sensitive Lipase (cluster #1 Of 3), Eukaryotic Eukaryotes 314 0.48 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LIPS_HUMAN Q05469 Hormone Sensitive Lipase, Human 314 0.48 Binding ≤ 1μM
LIPS_RAT P15304 Hormone-sensitive Lipase, Rat 314 0.48 Binding ≤ 1μM
LIPS_HUMAN Q05469 Hormone Sensitive Lipase, Human 314 0.48 Binding ≤ 10μM
LIPS_RAT P15304 Hormone-sensitive Lipase, Rat 314 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Hormone-sensitive lipase (HSL)-mediated triacylglycerol hydrolysis

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

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