UCSF

ZINC00004763

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 19 Yes

Popular Name: Mdl-29951 Mdl-29951

Find On: PubMed — Wikipedia — Google

CAS Number: 130798-51-5

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) 3.10 7.85 -111.23 1 5 -2 96 300.097 4 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 4.24e-02 g/l DrugBank-experimental

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
F16P1-1-E Fructose-1,6-bisphosphatase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.41 Binding ≤ 10μM
F16P2-1-E Fructose-1,6-bisphosphatase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.41 Binding ≤ 10μM
NMDE3-2-E Glutamate [NMDA] Receptor Subunit Epsilon 3 (cluster #2 Of 4), Eukaryotic Eukaryotes 2700 0.41 Binding ≤ 10μM
NMDZ1-3-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #3 Of 6), Eukaryotic Eukaryotes 70 0.53 Binding ≤ 10μM
Z104302-1-O Glutamate NMDA Receptor (cluster #1 Of 7), Other Other 50 0.54 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 5000 0.39 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 210 0.49 Binding ≤ 1μM
F16P1_PIG P00636 Fructose-1,6-bisphosphatase, Pig 1000 0.44 Binding ≤ 1μM
F16P2_HUMAN O00757 Fructose-1,6-bisphosphatase 2, Human 210 0.49 Binding ≤ 1μM
NMDZ1_RAT P35439 Glutamate (NMDA) Receptor Subunit Zeta 1, Rat 140 0.51 Binding ≤ 1μM
Z104302 Z104302 Glutamate NMDA Receptor 140 0.51 Binding ≤ 1μM
F16P1_HUMAN P09467 Fructose-1,6-bisphosphatase, Human 210 0.49 Binding ≤ 10μM
F16P1_PIG P00636 Fructose-1,6-bisphosphatase, Pig 1000 0.44 Binding ≤ 10μM
F16P2_HUMAN O00757 Fructose-1,6-bisphosphatase 2, Human 210 0.49 Binding ≤ 10μM
NMDZ1_RAT P35439 Glutamate (NMDA) Receptor Subunit Zeta 1, Rat 140 0.51 Binding ≤ 10μM
Z104302 Z104302 Glutamate NMDA Receptor 140 0.51 Binding ≤ 10μM
NMDE3_RAT Q00961 Glutamate [NMDA] Receptor Subunit Epsilon 3, Rat 2700 0.41 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 5000 0.39 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation through the activation of CaMKII
EPHB-mediated forward signaling
Gluconeogenesis
Ras activation uopn Ca2+ infux through NMDA receptor
Unblocking of NMDA receptor, glutamate binding and activation

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

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