UCSF

ZINC18710085

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2008 37 No

Popular Name: RAF265 RAF265

Find On: PubMed — Wikipedia — Google

CAS Number: 927880-90-8

Other Names:

CHIR-265

RAF-265

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) 6.48 13.65 -13.29 2 7 0 81 518.421 7 ↓
Hi High (pH 8-9.5) 6.48 13.23 -48.05 1 7 -1 79 517.413 7 ↓
Lo Low (pH 4.5-6) 6.48 14.5 -94.06 4 7 2 83 520.437 7 ↓
Lo Low (pH 4.5-6) 6.48 13.93 -42.01 3 7 1 82 519.429 7 ↓
Lo Low (pH 4.5-6) 6.48 14.43 -89.84 4 7 2 83 520.437 7 ↓
Lo Low (pH 4.5-6) 6.48 13.87 -39.3 3 7 1 82 519.429 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AAPK1-1-E AMP-activated Protein Kinase, Alpha-1 Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 4500 0.20 Binding ≤ 10μM
ABL1-1-E Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic Eukaryotes 970 0.23 Binding ≤ 10μM
ABL2-1-E Tyrosine-protein Kinase ABL2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1900 0.22 Binding ≤ 10μM
BRAF-1-E Serine/threonine-protein Kinase B-raf (cluster #1 Of 1), Eukaryotic Eukaryotes 330 0.25 Binding ≤ 10μM
CDK19-1-E Cell Division Cycle 2-like Protein Kinase 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 5100 0.20 Binding ≤ 10μM
CSF1R-1-E Macrophage Colony-stimulating Factor 1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.25 Binding ≤ 10μM
CTRO-1-E Citron Rho-interacting Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 87 0.27 Binding ≤ 10μM
DDR1-1-E Epithelial Discoidin Domain-containing Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 13 0.30 Binding ≤ 10μM
DDR2-1-E Discoidin Domain-containing Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 960 0.23 Binding ≤ 10μM
E2AK2-1-E Interferon-induced, Double-stranded RNA-activated Protein Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.23 Binding ≤ 10μM
E2AK4-1-E Eukaryotic Translation Initiation Factor 2-alpha Kinase 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.27 Binding ≤ 10μM
EPHA2-1-E Ephrin Type-A Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2900 0.21 Binding ≤ 10μM
EPHA6-1-E Ephrin Type-A Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 0.22 Binding ≤ 10μM
EPHA8-1-E Ephrin Type-A Receptor 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 0.23 Binding ≤ 10μM
FGFR1-1-E Fibroblast Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4700 0.20 Binding ≤ 10μM
FLT3-1-E Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.22 Binding ≤ 10μM
FRK-1-E Tyrosine-protein Kinase FRK (cluster #1 Of 1), Eukaryotic Eukaryotes 590 0.24 Binding ≤ 10μM
FYN-1-E Tyrosine-protein Kinase FYN (cluster #1 Of 5), Eukaryotic Eukaryotes 2100 0.21 Binding ≤ 10μM
HCK-1-E Tyrosine-protein Kinase HCK (cluster #1 Of 1), Eukaryotic Eukaryotes 1200 0.22 Binding ≤ 10μM
KIT-1-E Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 850 0.23 Binding ≤ 10μM
LCK-1-E Tyrosine-protein Kinase LCK (cluster #1 Of 4), Eukaryotic Eukaryotes 640 0.23 Binding ≤ 10μM
LYN-1-E Tyrosine-protein Kinase Lyn (cluster #1 Of 1), Eukaryotic Eukaryotes 370 0.24 Binding ≤ 10μM
M4K4-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 4 (cluster #1 Of 2), Eukaryotic Eukaryotes 1300 0.22 Binding ≤ 10μM
M4K5-1-E Mitogen-activated Protein Kinase Kinase Kinase Kinase 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 830 0.23 Binding ≤ 10μM
MLTK-1-E Mixed Lineage Kinase 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 63 0.27 Binding ≤ 10μM
NEK5-1-E Serine/threonine-protein Kinase Nek5 (cluster #1 Of 1), Eukaryotic Eukaryotes 3200 0.21 Binding ≤ 10μM
PAK3-1-E Serine/threonine-protein Kinase PAK 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 770 0.23 Binding ≤ 10μM
PGFRA-2-E Platelet-derived Growth Factor Receptor Alpha (cluster #2 Of 2), Eukaryotic Eukaryotes 1100 0.23 Binding ≤ 10μM
PGFRB-1-E Platelet-derived Growth Factor Receptor Beta (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.25 Binding ≤ 10μM
PTK6-1-E Tyrosine-protein Kinase BRK (cluster #1 Of 1), Eukaryotic Eukaryotes 3600 0.21 Binding ≤ 10μM
RAF1-1-E Serine/threonine-protein Kinase RAF (cluster #1 Of 1), Eukaryotic Eukaryotes 390 0.24 Binding ≤ 10μM
RET-1-E Tyrosine-protein Kinase Receptor RET (cluster #1 Of 1), Eukaryotic Eukaryotes 72 0.27 Binding ≤ 10μM
RIPK2-1-E Serine/threonine-protein Kinase RIPK2 (cluster #1 Of 1), Eukaryotic Eukaryotes 950 0.23 Binding ≤ 10μM
SLK-1-E Serine/threonine-protein Kinase 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 510 0.24 Binding ≤ 10μM
SRC-1-E Tyrosine-protein Kinase SRC (cluster #1 Of 3), Eukaryotic Eukaryotes 1100 0.23 Binding ≤ 10μM
STK10-1-E Serine/threonine-protein Kinase 10 (cluster #1 Of 1), Eukaryotic Eukaryotes 60 0.27 Binding ≤ 10μM
TIE1-1-E Tyrosine-protein Kinase Receptor Tie-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.26 Binding ≤ 10μM
TIE2-1-E Tyrosine-protein Kinase TIE-2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1300 0.22 Binding ≤ 10μM
TNI3K-1-E Serine/threonine-protein Kinase TNNI3K (cluster #1 Of 1), Eukaryotic Eukaryotes 5900 0.20 Binding ≤ 10μM
TNIK-1-E TRAF2- And NCK-interacting Kinase (cluster #1 Of 2), Eukaryotic Eukaryotes 1500 0.22 Binding ≤ 10μM
VGFR1-1-E Vascular Endothelial Growth Factor Receptor 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.23 Binding ≤ 10μM
VGFR2-1-E Vascular Endothelial Growth Factor Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 1300 0.22 Binding ≤ 10μM
VGFR3-1-E Vascular Endothelial Growth Factor Receptor 3 (cluster #1 Of 2), Eukaryotic Eukaryotes 2000 0.22 Binding ≤ 10μM
YES-1-E Tyrosine-protein Kinase YES (cluster #1 Of 1), Eukaryotic Eukaryotes 940 0.23 Binding ≤ 10μM
Z80485-1-O SK-MEL-28 (Melanoma Cells) (cluster #1 Of 6), Other Other 140 0.26 Functional ≤ 10μM
Z81248-1-O Malme-3M (Melanoma Cells) (cluster #1 Of 3), Other Other 140 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CTRO_HUMAN O14578 Citron Rho-interacting Kinase, Human 87 0.27 Binding ≤ 1μM
DDR2_HUMAN Q16832 Discoidin Domain-containing Receptor 2, Human 960 0.23 Binding ≤ 1μM
DDR1_HUMAN Q08345 Epithelial Discoidin Domain-containing Receptor 1, Human 13 0.30 Binding ≤ 1μM
E2AK4_HUMAN Q9P2K8 Eukaryotic Translation Initiation Factor 2-alpha Kinase 4, Human 55 0.27 Binding ≤ 1μM
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 950 0.23 Binding ≤ 1μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 250 0.25 Binding ≤ 1μM
M4K5_HUMAN Q9Y4K4 Mitogen-activated Protein Kinase Kinase Kinase Kinase 5, Human 830 0.23 Binding ≤ 1μM
MLTK_HUMAN Q9NYL2 Mixed Lineage Kinase 7, Human 63 0.27 Binding ≤ 1μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 240 0.25 Binding ≤ 1μM
STK10_HUMAN O94804 Serine/threonine-protein Kinase 10, Human 60 0.27 Binding ≤ 1μM
SLK_HUMAN Q9H2G2 Serine/threonine-protein Kinase 2, Human 510 0.24 Binding ≤ 1μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 330 0.25 Binding ≤ 1μM
PAK3_HUMAN O75914 Serine/threonine-protein Kinase PAK 3, Human 770 0.23 Binding ≤ 1μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 390 0.24 Binding ≤ 1μM
RIPK2_HUMAN O43353 Serine/threonine-protein Kinase RIPK2, Human 950 0.23 Binding ≤ 1μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 170 0.26 Binding ≤ 1μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 210 0.25 Binding ≤ 1μM
FRK_HUMAN P42685 Tyrosine-protein Kinase FRK, Human 590 0.24 Binding ≤ 1μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 640 0.23 Binding ≤ 1μM
LYN_HUMAN P07948 Tyrosine-protein Kinase Lyn, Human 370 0.24 Binding ≤ 1μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 150 0.26 Binding ≤ 1μM
TIE1_HUMAN P35590 Tyrosine-protein Kinase Receptor Tie-1, Human 150 0.26 Binding ≤ 1μM
YES_HUMAN P07947 Tyrosine-protein Kinase YES, Human 940 0.23 Binding ≤ 1μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 800 0.23 Binding ≤ 1μM
AAPK1_HUMAN Q13131 AMP-activated Protein Kinase, Alpha-1 Subunit, Human 4500 0.20 Binding ≤ 10μM
CDK19_HUMAN Q9BWU1 Cell Division Cycle 2-like Protein Kinase 6, Human 5100 0.20 Binding ≤ 10μM
CTRO_HUMAN O14578 Citron Rho-interacting Kinase, Human 87 0.27 Binding ≤ 10μM
DDR2_HUMAN Q16832 Discoidin Domain-containing Receptor 2, Human 960 0.23 Binding ≤ 10μM
EPHA2_HUMAN P29317 Ephrin Type-A Receptor 2, Human 2900 0.21 Binding ≤ 10μM
EPHA6_HUMAN Q9UF33 Ephrin Type-A Receptor 6, Human 1500 0.22 Binding ≤ 10μM
EPHA8_HUMAN P29322 Ephrin Type-A Receptor 8, Human 1100 0.23 Binding ≤ 10μM
DDR1_HUMAN Q08345 Epithelial Discoidin Domain-containing Receptor 1, Human 13 0.30 Binding ≤ 10μM
E2AK4_HUMAN Q9P2K8 Eukaryotic Translation Initiation Factor 2-alpha Kinase 4, Human 55 0.27 Binding ≤ 10μM
FGFR1_HUMAN P11362 Fibroblast Growth Factor Receptor 1, Human 4700 0.20 Binding ≤ 10μM
E2AK2_HUMAN P19525 Interferon-induced, Double-stranded RNA-activated Protein Kinase, Human 950 0.23 Binding ≤ 10μM
CSF1R_HUMAN P07333 Macrophage Colony Stimulating Factor Receptor, Human 250 0.25 Binding ≤ 10μM
M4K4_HUMAN O95819 Mitogen-activated Protein Kinase Kinase Kinase Kinase 4, Human 1300 0.22 Binding ≤ 10μM
M4K5_HUMAN Q9Y4K4 Mitogen-activated Protein Kinase Kinase Kinase Kinase 5, Human 830 0.23 Binding ≤ 10μM
MLTK_HUMAN Q9NYL2 Mixed Lineage Kinase 7, Human 63 0.27 Binding ≤ 10μM
PGFRA_HUMAN P16234 Platelet-derived Growth Factor Receptor Alpha, Human 1100 0.23 Binding ≤ 10μM
PGFRB_HUMAN P09619 Platelet-derived Growth Factor Receptor Beta, Human 240 0.25 Binding ≤ 10μM
STK10_HUMAN O94804 Serine/threonine-protein Kinase 10, Human 60 0.27 Binding ≤ 10μM
SLK_HUMAN Q9H2G2 Serine/threonine-protein Kinase 2, Human 510 0.24 Binding ≤ 10μM
BRAF_HUMAN P15056 Serine/threonine-protein Kinase B-raf, Human 1200 0.22 Binding ≤ 10μM
NEK5_HUMAN Q6P3R8 Serine/threonine-protein Kinase Nek5, Human 3200 0.21 Binding ≤ 10μM
PAK3_HUMAN O75914 Serine/threonine-protein Kinase PAK 3, Human 770 0.23 Binding ≤ 10μM
RAF1_HUMAN P04049 Serine/threonine-protein Kinase RAF, Human 1200 0.22 Binding ≤ 10μM
RIPK2_HUMAN O43353 Serine/threonine-protein Kinase RIPK2, Human 950 0.23 Binding ≤ 10μM
TNI3K_HUMAN Q59H18 Serine/threonine-protein Kinase TNNI3K, Human 5900 0.20 Binding ≤ 10μM
KIT_HUMAN P10721 Stem Cell Growth Factor Receptor, Human 170 0.26 Binding ≤ 10μM
TNIK_HUMAN Q9UKE5 TRAF2- And NCK-interacting Kinase, Human 1500 0.22 Binding ≤ 10μM
ABL1_HUMAN P00519 Tyrosine-protein Kinase ABL, Human 1100 0.23 Binding ≤ 10μM
ABL2_HUMAN P42684 Tyrosine-protein Kinase ABL2, Human 1900 0.22 Binding ≤ 10μM
PTK6_HUMAN Q13882 Tyrosine-protein Kinase BRK, Human 3600 0.21 Binding ≤ 10μM
FRK_HUMAN P42685 Tyrosine-protein Kinase FRK, Human 590 0.24 Binding ≤ 10μM
FYN_HUMAN P06241 Tyrosine-protein Kinase FYN, Human 2100 0.21 Binding ≤ 10μM
HCK_HUMAN P08631 Tyrosine-protein Kinase HCK, Human 1200 0.22 Binding ≤ 10μM
LCK_HUMAN P06239 Tyrosine-protein Kinase LCK, Human 640 0.23 Binding ≤ 10μM
LYN_HUMAN P07948 Tyrosine-protein Kinase Lyn, Human 370 0.24 Binding ≤ 10μM
FLT3_HUMAN P36888 Tyrosine-protein Kinase Receptor FLT3, Human 1400 0.22 Binding ≤ 10μM
RET_HUMAN P07949 Tyrosine-protein Kinase Receptor RET, Human 150 0.26 Binding ≤ 10μM
TIE1_HUMAN P35590 Tyrosine-protein Kinase Receptor Tie-1, Human 150 0.26 Binding ≤ 10μM
SRC_HUMAN P12931 Tyrosine-protein Kinase SRC, Human 1100 0.23 Binding ≤ 10μM
TIE2_HUMAN Q02763 Tyrosine-protein Kinase TIE-2, Human 1300 0.22 Binding ≤ 10μM
YES_HUMAN P07947 Tyrosine-protein Kinase YES, Human 940 0.23 Binding ≤ 10μM
VGFR1_HUMAN P17948 Vascular Endothelial Growth Factor Receptor 1, Human 800 0.23 Binding ≤ 10μM
VGFR2_HUMAN P35968 Vascular Endothelial Growth Factor Receptor 2, Human 1300 0.22 Binding ≤ 10μM
VGFR3_HUMAN P35916 Vascular Endothelial Growth Factor Receptor 3, Human 2000 0.22 Binding ≤ 10μM
Z81248 Z81248 Malme-3M (Melanoma Cells) 140 0.26 Functional ≤ 10μM
Z80485 Z80485 SK-MEL-28 (Melanoma Cells) 140 0.26 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
activated TAK1 mediates p38 MAPK activation
Activation of Rac
Antigen activates B Cell Receptor (BCR) leading to generation of second messenge
ARMS-mediated activation
CD28 co-stimulation
CD28 dependent PI3K/Akt signaling
CD28 dependent Vav1 pathway
CDO in myogenesis
Cell surface interactions at the vascular wall
Constitutive PI3K/AKT Signaling in Cancer
CREB phosphorylation through the activation of Ras
CRMPs in Sema3A signaling
CTLA4 inhibitory signaling
DAP12 signaling
DCC mediated attractive signaling
Downstream signal transduction
Downstream TCR signaling
EPH-ephrin mediated repulsion of cells
EPH-Ephrin signaling
EPHA-mediated growth cone collapse
EPHB-mediated forward signaling
Ephrin signaling
Factors involved in megakaryocyte development and platelet production
Fc epsilon receptor (FCERI) signaling
FCERI mediated Ca+2 mobilization
FCERI mediated MAPK activation
FCERI mediated NF-kB activation
FCGR activation
Frs2-mediated activation
Generation of second messenger molecules
GP1b-IX-V activation signalling
GPVI-mediated activation cascade
Growth hormone receptor signaling
Inhibition of PKR
Integrin cell surface interactions
Interleukin-1 signaling
Interleukin-2 signaling
ISG15 antiviral mechanism
JNK (c-Jun kinases) phosphorylation and activation mediated by activated human
MEK activation
NCAM signaling for neurite out-growth
Nef and signal transduction
Nef Mediated CD4 Down-regulation
Nephrin interactions
Netrin mediated repulsion signals
Neurophilin interactions with VEGF and VEGFR
NOD1/2 Signaling Pathway
Non-integrin membrane-ECM interactions
Oxidative Stress Induced Senescence
p75NTR recruits signalling complexes
PD-1 signaling
PECAM1 interactions
Phosphorylation of CD3 and TCR zeta chains
PIP3 activates AKT signaling
Platelet Adhesion to exposed collagen
PPARA activates gene expression
RAF activation
RAF phosphorylates MEK
Rap1 signalling
Regulation of actin dynamics for phagocytic cup formation
Regulation of AMPK activity via LKB1
Regulation of KIT signaling
Regulation of Rheb GTPase activity by AMPK
Regulation of signaling by CBL
Role of Abl in Robo-Slit signaling
Role of LAT2/NTAL/LAB on calcium mobilization
Sema3A PAK dependent Axon repulsion
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion
Signaling by activated point mutants of FGFR1
Signaling by ERBB2
Signaling by FGFR mutants
Signaling by PDGF
Signaling by SCF-KIT
Signalling to p38 via RIT and RIN
Spry regulation of FGF signaling
Stimuli-sensing channels
TAK1 activates NFkB by phosphorylation and activation of IKKs complex
Tie2 Signaling
Transcriptional regulation of white adipocyte differentiation
Translocation of ZAP-70 to Immunological synapse
VEGF binds to VEGFR leading to receptor dimerization
VEGFA-VEGFR2 Pathway
VEGFR2 mediated cell proliferation
VEGFR2 mediated vascular permeability

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