| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 30 | Yes |
Popular Name: CID 11654378 CID 11654378
Find On: PubMed — Wikipedia — Google
CAS Numbers: 885704-21-2 , [885704-21-2]
4-Cyano-N-(4-(4-methylpiperazin-1-yl)-2-(4-methylpiperidin-1-yl)phenyl)-1H-pyrrole-2-carboxamide
| 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) | 2.84 | 8.78 | -51.18 | 3 | 7 | 1 | 80 | 407.542 | 4 | ↓ |
| 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 | 1 | 0.42 | Binding ≤ 10μM |
| FLT3-1-E | Tyrosine-protein Kinase Receptor FLT3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4 | 0.39 | Binding ≤ 10μM |
| NTRK1-1-E | Nerve Growth Factor Receptor Trk-A (cluster #1 Of 1), Eukaryotic | Eukaryotes | 11 | 0.37 | Binding ≤ 10μM |
| UFO-1-E | Tyrosine-protein Kinase Receptor UFO (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 0.78 | 0.43 | Binding ≤ 1μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 11 | 0.37 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 3.5 | 0.39 | Binding ≤ 1μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 18 | 0.36 | Binding ≤ 1μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 6.4 | 0.38 | Binding ≤ 1μM |
| CSF1R_HUMAN | P07333 | Macrophage Colony Stimulating Factor Receptor, Human | 0.78 | 0.43 | Binding ≤ 10μM |
| NTRK1_HUMAN | P04629 | Nerve Growth Factor Receptor Trk-A, Human | 11 | 0.37 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 3.5 | 0.39 | Binding ≤ 10μM |
| FLT3_HUMAN | P36888 | Tyrosine-protein Kinase Receptor FLT3, Human | 18 | 0.36 | Binding ≤ 10μM |
| UFO_HUMAN | P30530 | Tyrosine-protein Kinase Receptor UFO, Human | 6.4 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| ARMS-mediated activation | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Frs2-mediated activation | |
| NGF-independant TRKA activation | |
| PI3K/AKT activation | |
| PIP3 activates AKT signaling | |
| PLC-gamma1 signalling | |
| Regulation of KIT signaling | |
| Retrograde neurotrophin signalling | |
| Signaling by SCF-KIT | |
| Signalling to p38 via RIT and RIN | |
| Signalling to RAS | |
| Signalling to STAT3 | |
| TRKA activation by NGF | |
| VEGFA-VEGFR2 Pathway |
No pre-computed analogs available. Try a structural similarity search.