UCSF

ZINC00024222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 22 Yes

Popular Name: Catramilast Catramilast

Find On: PubMed — Wikipedia — Google

CAS Number: 183659-72-5

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) 2.76 0.66 -16.62 1 5 0 56 302.374 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PDE4A-1-E Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.53 Binding ≤ 10μM
PDE4B-1-E Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic Eukaryotes 86 0.45 Binding ≤ 10μM
PDE4D-1-E Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 3.5 0.54 Binding ≤ 1μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 85.8 0.45 Binding ≤ 1μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 3.5 0.54 Binding ≤ 1μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 3.5 0.54 Binding ≤ 1μM
PDE4A_RAT P54748 Phosphodiesterase 4A, Rat 3.5 0.54 Binding ≤ 10μM
PDE4B_RAT P14646 Phosphodiesterase 4B, Rat 3.5 0.54 Binding ≤ 10μM
PDE4B_HUMAN Q07343 Phosphodiesterase 4B, Human 85.8 0.45 Binding ≤ 10μM
PDE4D_RAT P14270 Phosphodiesterase 4D, Rat 3.5 0.54 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

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

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