UCSF

ZINC27884559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 32 No

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) 7.07 15.11 -39.81 2 3 1 34 540.465 8
Hi High (pH 8-9.5) 7.07 12.55 -8.42 1 3 0 33 539.457 8

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
O77823-1-E Phosphodiesterase 4A (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.25 Functional ≤ 10μM
PDE1A-1-E Phosphodiesterase 1A (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.25 Functional ≤ 10μM
PDE1B-1-E Phosphodiesterase 1B (cluster #1 Of 2), Eukaryotic Eukaryotes 2200 0.25 Functional ≤ 10μM
PDE1C-1-E Phosphodiesterase 1C (cluster #1 Of 2), Eukaryotic Eukaryotes 2200 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE1A_HUMAN P54750 Phosphodiesterase 1A, Human 2200 0.25 Functional ≤ 10μM
PDE1B_HUMAN Q01064 Phosphodiesterase 1B, Human 2200 0.25 Functional ≤ 10μM
PDE1C_HUMAN Q14123 Phosphodiesterase 1C, Human 2200 0.25 Functional ≤ 10μM
O77823_PIG O77823 Phosphodiesterase 4A, Pig 2200 0.25 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Cam-PDE 1 activation
cGMP effects
DARPP-32 events
G alpha (s) signalling events

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