UCSF

ZINC00901012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 10 Yes

Popular Name: N-Methyl-D-aspartic acid N-Methyl-D-aspartic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17833-53-3 , 303750-06-3 , 4226-18-0 , 6384-92-5 , N/A , [303750-06-3] , [6384-92-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -2.61 2.77 -51.87 2 5 -1 97 146.122 4 ↓
Lo Low (pH 4.5-6) -2.61 0.79 -29.99 3 5 0 94 147.13 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 187 - 192 Acros Organics
Purity 95% Fluorochem
Purity >98% Fluorochem
UniProt Database Links AKAP9_HUMAN; ANS1B_HUMAN; ANS1B_RAT; ARC_CHICK; ARC_RAT; CD47_RAT; CELF2_HUMAN; CELF2_MOUSE; CELF2_PONAB; CELF2_RAT; CGA_CONDI; CKBR_CONSL; CKE_CONER; CKG_CONGE; CKL_CONLY; CKP1_CONPI; CKP2_CONPI; CKP3_CONPI; CKP_CONPU; CKR1A_CONRO; CKR1B_CONRO; CKR1C_CON ChEBI
Target GluR Selleck Chemicals
therap NMDA agonist MicroSource Spectrum
Therapy NMDA glutamate receptor agonist SMDC MicroSource
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NMDZ1-4-E Glutamate (NMDA) Receptor Subunit Zeta 1 (cluster #4 Of 6), Eukaryotic Eukaryotes 8300 0.71 Binding ≤ 10μM
Z104302-3-O Glutamate NMDA Receptor (cluster #3 Of 7), Other Other 6860 0.72 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NMDZ1_RAT P35439 Glutamate (NMDA) Receptor Subunit Zeta 1, Rat 8300 0.71 Binding ≤ 10μM
Z104302 Z104302 Glutamate NMDA Receptor 4150 0.75 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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