UCSF

ZINC43204002

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 40 No

Popular Name: AC220 AC220

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1132827-21-4 , 950769-58-1

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) 5.88 11 -20.62 2 10 0 106 560.68 8 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.28 Binding ≤ 10μM
DDR1-1-E Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.25 Binding ≤ 10μM
DDR2-1-E Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.22 Binding ≤ 10μM
EPHB6-1-E Ephrin Type-B Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.21 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 4 0.29 Binding ≤ 10μM
FRK-1-E Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic Eukaryotes 1800 0.20 Binding ≤ 10μM
HIPK4-1-E Homeodomain-interacting Protein Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.23 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.29 Binding ≤ 10μM
M3K7-1-E Mitogen-activated Protein Kinase Kinase Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 8500 0.18 Binding ≤ 10μM
M4K4-2-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #2 Of 2), Eukaryotic Eukaryotes 2500 0.20 Binding ≤ 10μM
M4K5-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 440 0.22 Binding ≤ 10μM
MK15-1-E Mitogen-activated Protein Kinase 15 (cluster #1 Of 1), Eukaryotic Eukaryotes 270 0.23 Binding ≤ 10μM
MKNK2-1-E MAP Kinase Signal-integrating Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 2600 0.20 Binding ≤ 10μM
MUSK-1-E Muscle, Skeletal Receptor Tyrosine Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 1000 0.21 Binding ≤ 10μM
MYLK-1-E Myosin Light Chain Kinase, Smooth Muscle (cluster #1 Of 1), Eukaryotic Eukaryotes 410 0.22 Binding ≤ 10μM
NTRK1-1-E Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.20 Binding ≤ 10μM
NTRK2-1-E Neurotrophic Tyrosine Kinase Receptor Type 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 620 0.22 Binding ≤ 10μM
NTRK3-1-E NT-3 Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 550 0.22 Binding ≤ 10μM
PGFRA-2-E Platelet-derived Growth Factor Receptor Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 11 0.28 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.28 Binding ≤ 10μM
RET-1-E Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.28 Binding ≤ 10μM
STK10-1-E Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.18 Binding ≤ 10μM
TIE1-1-E Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.19 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.26 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 87 0.25 Binding ≤ 10μM
VGFR3-1-E Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 41 0.26 Binding ≤ 10μM
YSK4-1-E SPS1/STE20-related Protein Kinase YSK4 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.20 Binding ≤ 10μM
Z100405-1-O MV4-11 (Myeloid Leukemia Cells) (cluster #1 Of 1), Other Other 1 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DDR2_HUMAN Q16832 Discoidin Domain-containing Receptor 2, Human 690 0.22 Binding ≤ 1μM
DDR1_HUMAN Q08345 Epithelial Discoidin Domain-containing Receptor 1, Human 81 0.25 Binding ≤ 1μM
HIPK4_HUMAN Q8NE63 Homeodomain-interacting Protein Kinase 4, Human 320 0.23 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.6 0.31 Binding ≤ 1μM
MK15_HUMAN Q8TD08 Mitogen-activated Protein Kinase 15, Human 270 0.23 Binding ≤ 1μM
M4K5_HUMAN Q9Y4K4 Mitogen-activated Protein Kinase Kinase Kinase Kinase 5, Human 440 0.22 Binding ≤ 1μM
MUSK_HUMAN O15146 Muscle, Skeletal Receptor Tyrosine Protein Kinase, Human 1000 0.21 Binding ≤ 1μM
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 410 0.22 Binding ≤ 1μM
NTRK2_HUMAN Q16620 Neurotrophic Tyrosine Kinase Receptor Type 2, Human 620 0.22 Binding ≤ 1μM
NTRK3_HUMAN Q16288 NT-3 Growth Factor Receptor, Human 550 0.22 Binding ≤ 1μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 1.6 0.31 Binding ≤ 1μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 1.6 0.31 Binding ≤ 1μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 1.6 0.31 Binding ≤ 1μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 1.6 0.31 Binding ≤ 1μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 1.6 0.31 Binding ≤ 1μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 41 0.26 Binding ≤ 1μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 87 0.25 Binding ≤ 1μM
VGFR3_HUMAN P35916 Vascular Endothelial Growth Factor Receptor 3, Human 41 0.26 Binding ≤ 1μM
DDR2_HUMAN Q16832 Discoidin Domain-containing Receptor 2, Human 690 0.22 Binding ≤ 10μM
EPHB6_HUMAN O15197 Ephrin Type-B Receptor 6, Human 1200 0.21 Binding ≤ 10μM
DDR1_HUMAN Q08345 Epithelial Discoidin Domain-containing Receptor 1, Human 81 0.25 Binding ≤ 10μM
HIPK4_HUMAN Q8NE63 Homeodomain-interacting Protein Kinase 4, Human 320 0.23 Binding ≤ 10μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 1.6 0.31 Binding ≤ 10μM
MKNK2_HUMAN Q9HBH9 MAP Kinase Signal-integrating Kinase 2, Human 2600 0.20 Binding ≤ 10μM
MK15_HUMAN Q8TD08 Mitogen-activated Protein Kinase 15, Human 270 0.23 Binding ≤ 10μM
M3K7_HUMAN O43318 Mitogen-activated Protein Kinase Kinase Kinase 7, Human 8500 0.18 Binding ≤ 10μM
M4K4_HUMAN O95819 Mitogen-activated Protein Kinase Kinase Kinase Kinase 4, Human 2500 0.20 Binding ≤ 10μM
M4K5_HUMAN Q9Y4K4 Mitogen-activated Protein Kinase Kinase Kinase Kinase 5, Human 440 0.22 Binding ≤ 10μM
MUSK_HUMAN O15146 Muscle, Skeletal Receptor Tyrosine Protein Kinase, Human 1000 0.21 Binding ≤ 10μM
MYLK_HUMAN Q15746 Myosin Light Chain Kinase, Smooth Muscle, Human 410 0.22 Binding ≤ 10μM
NTRK1_HUMAN P04629 Nerve Growth Factor Receptor Trk-A, Human 2300 0.20 Binding ≤ 10μM
NTRK2_HUMAN Q16620 Neurotrophic Tyrosine Kinase Receptor Type 2, Human 620 0.22 Binding ≤ 10μM
NTRK3_HUMAN Q16288 NT-3 Growth Factor Receptor, Human 550 0.22 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 1.6 0.31 Binding ≤ 10μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 1.6 0.31 Binding ≤ 10μM
STK10_HUMAN O94804 Serine/threonine-protein Kinase 10, Human 9400 0.18 Binding ≤ 10μM
YSK4_HUMAN Q56UN5 SPS1/STE20-related Protein Kinase YSK4, Human 2000 0.20 Binding ≤ 10μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 1.6 0.31 Binding ≤ 10μM
FRK_HUMAN P42685 Tyrosine-protein Kinase FRK, Human 1800 0.20 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 1.6 0.31 Binding ≤ 10μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 1.6 0.31 Binding ≤ 10μM
TIE1_HUMAN P35590 Tyrosine-protein Kinase Receptor Tie-1, Human 3200 0.19 Binding ≤ 10μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 41 0.26 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 87 0.25 Binding ≤ 10μM
VGFR3_HUMAN P35916 Vascular Endothelial Growth Factor Receptor 3, Human 41 0.26 Binding ≤ 10μM
Z100405 Z100405 MV4-11 (Myeloid Leukemia Cells) 0.56 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
activated TAK1 mediates p38 MAPK activation
Activation of NF-kappaB in B cells
ARMS-mediated activation
Ca2+ pathway
Constitutive PI3K/AKT Signaling in Cancer
Downstream signal transduction
Downstream TCR signaling
ECM proteoglycans
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
FCERI mediated NF-kB activation
Frs2-mediated activation
Integrin cell surface interactions
Interleukin-1 signaling
IRAK2 mediated activation of TAK1 complex
IRAK2 mediated activation of TAK1 complex upon TLR7/8 or 9 stimulation
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human
Neurophilin interactions with VEGF and VEGFR
NGF-independant TRKA activation
NOD1/2 Signaling Pathway
Non-integrin membrane-ECM interactions
Oxidative Stress Induced Senescence
PI3K/AKT activation
PIP3 activates AKT signaling
PLC-gamma1 signalling
Regulation of KIT signaling
Retrograde neurotrophin signalling
Signaling by PDGF
Signaling by SCF-KIT
Signalling to p38 via RIT and RIN
Signalling to RAS
Signalling to STAT3
Smooth Muscle Contraction
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
TRAF6 mediated induction of TAK1 complex
TRKA activation by NGF
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation

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

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