UCSF

ZINC25720700

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 10 No

Popular Name: TPMPA TPMPA

Find On: PubMed — Wikipedia — Google

CAS Number: 182485-36-5

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) -0.81 1.14 -52.26 2 3 0 57 161.141 1 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GBRR1-1-E GABA Receptor Rho-1 Subunit (cluster #1 Of 4), Eukaryotic Eukaryotes 2220 0.79 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GBRR1_HUMAN P24046 GABA Receptor Rho-1 Subunit, Human 2220 0.79 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
GABA A (rho) receptor activation
Ligand-gated ion channel transport

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

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