UCSF

ZINC00098417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 25 No

Popular Name: 2-[(4-morpholinoanilino)methyl]isoindoline-1,3-dione 2-[(4-morpholinoanilino)methyl]i…

Find On: PubMed — Wikipedia — Google

Other Names:

MFCD00023069

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) 2.94 -4.14 -9.98 1 6 0 63 337.379 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KS6A3-1-E Ribosomal Protein S6 Kinase Alpha 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KS6A3_HUMAN P51812 Ribosomal Protein S6 Kinase Alpha 3, Human 950 0.34 Binding ≤ 1μM
KS6A3_HUMAN P51812 Ribosomal Protein S6 Kinase Alpha 3, Human 950 0.34 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
CREB phosphorylation
CREB phosphorylation through the activation of Ras
ERK/MAPK targets
Gastrin-CREB signalling pathway via PKC and MAPK
Recycling pathway of L1
RSK activation
Senescence-Associated Secretory Phenotype (SASP)

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

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