UCSF

ZINC02011307

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 20 Yes

Popular Name: Ro 20-1724 Ro 20-1724

Find On: PubMed — Wikipedia — Google

CAS Number: 29925-17-5

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) 2.49 3.82 -14.52 2 5 0 60 278.352 7 ↓

Vendor Notes

Note Type Comments Provided By
therap cAMP PDE inhibitor, inhibits cellular adhesion and superoxide & platelet aggregation MicroSource Spectrum
Therapy Potent and selective cAMP phosphodiesterase inhibitor SMDC Iconix

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE3A-1-E Phosphodiesterase 3A (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.35 Binding ≤ 10μM
PDE3B-1-E Phosphodiesterase 3B (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.35 Binding ≤ 10μM
PDE4A-1-E Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.35 Binding ≤ 10μM
PDE4C-1-E Phosphodiesterase 4C (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.35 Binding ≤ 10μM
PDE4D-1-E Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic Eukaryotes 9100 0.35 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 120 0.48 Functional ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 1800 0.40 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE3A_HUMAN Q14432 Phosphodiesterase 3A, Human 9100 0.35 Binding ≤ 10μM
PDE3B_HUMAN Q13370 Phosphodiesterase 3B, Human 9100 0.35 Binding ≤ 10μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 6000 0.37 Binding ≤ 10μM
PDE4A_HUMAN P27815 Phosphodiesterase 4A, Human 4800 0.37 Binding ≤ 10μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 1930 0.40 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 6000 0.37 Binding ≤ 10μM
PDE4C_HUMAN Q08493 Phosphodiesterase 4C, Human 4800 0.37 Binding ≤ 10μM
PDE4C_RAT P14644 Phosphodiesterase 4C, Rat 6000 0.37 Binding ≤ 10μM
PDE4D_HUMAN Q08499 Phosphodiesterase 4D, Human 4800 0.37 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 6000 0.37 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 120 0.48 Functional ≤ 10μM
Z50587 Z50587 Homo Sapiens 1800 0.40 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
cGMP effects
DARPP-32 events
G alpha (s) signalling events
PDE3B signalling

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