UCSF

ZINC13673998

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 Yes

Popular Name: 1-((3-(Diethylamino)propyl)amino)-5,6,11-trimethyl-6H-pyrido(4,3-b)carbazol-9-ol hydrate; 6H-Pyrido(4,3-b)carbazol-9-ol, 1-((3-(diethylamino)propyl)amino)-5,6,11-trimethyl-, hydrate; LS-133323 1-((3-(Diethylamino)propyl)amino…

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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) 4.88 11.35 -93.75 4 5 2 56 406.574 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FGFR3-1-E Fibroblast Growth Factor Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.27 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.25 Binding ≤ 10μM
PGFRA-1-E Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FGFR3_HUMAN P22607 Fibroblast Growth Factor Receptor 3, Human 1400 0.27 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 2000 0.27 Binding ≤ 10μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 2500 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Constitutive PI3K/AKT Signaling in Cancer
Downstream signal transduction
PIP3 activates AKT signaling
Regulation of KIT signaling
Signaling by activated point mutants of FGFR3
Signaling by FGFR mutants
Signaling by FGFR3 mutants
Signaling by PDGF
Signaling by SCF-KIT
t(4;14) translocations of FGFR3

Rings

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

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