UCSF

ZINC35998548

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2009 34 Yes

Popular Name: TP-10 TP-10

Find On: PubMed — Wikipedia — Google

CAS Number: 898563-00-3

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) 5.15 12.54 -15.48 0 5 0 53 460.459 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE10-1-E Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic Eukaryotes 1 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE10_RAT Q9QYJ6 CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat 0.3 0.39 Binding ≤ 1μM
PDE10_RAT Q9QYJ6 CAMP And CAMP-inhibited CGMP 3',5'-cyclic Phosphodiesterase 10A, Rat 0.3 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
G alpha (s) signalling events

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

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