| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 12th, 2008 | 31 | No |
Popular Name: 4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide 4-Chloromethyl-N-[4-methyl-3-[[4…
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CAS Numbers: 404844-11-7 , [404844-11-7]
4-(Chloromethyl)-N-(4-methyl-3-((4-(pyridin-3-yl)pyrimidin-2-yl)amino)phenyl)benzamide
Benzamide, 4-(chloromethyl)-N-[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]-
N-[4-Methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-4-chloromethylBenzamide
| 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) | 4.77 | 13.05 | -16.74 | 2 | 6 | 0 | 80 | 429.911 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 4.77 | 13.5 | -54.74 | 3 | 6 | 1 | 81 | 430.919 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ABL1-1-E | Tyrosine-protein Kinase ABL (cluster #1 Of 1), Eukaryotic | Eukaryotes | 6950 | 0.23 | Binding ≤ 10μM |
| KIT-1-E | Stem Cell Growth Factor Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 245 | 0.30 | Binding ≤ 10μM |
| PGFRA-1-E | Platelet-derived Growth Factor Receptor Alpha (cluster #1 Of 2), Eukaryotic | Eukaryotes | 139 | 0.31 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 139 | 0.31 | Binding ≤ 1μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 245 | 0.30 | Binding ≤ 1μM |
| PGFRA_HUMAN | P16234 | Platelet-derived Growth Factor Receptor Alpha, Human | 139 | 0.31 | Binding ≤ 10μM |
| KIT_HUMAN | P10721 | Stem Cell Growth Factor Receptor, Human | 245 | 0.30 | Binding ≤ 10μM |
| ABL1_HUMAN | P00519 | Tyrosine-protein Kinase ABL, Human | 6950 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| CDO in myogenesis | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| Downstream signal transduction | |
| Factors involved in megakaryocyte development and platelet production | |
| PIP3 activates AKT signaling | |
| Regulation of actin dynamics for phagocytic cup formation | |
| Regulation of KIT signaling | |
| Role of Abl in Robo-Slit signaling | |
| Signaling by PDGF | |
| Signaling by SCF-KIT |
No pre-computed analogs available. Try a structural similarity search.