In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 29th, 2005 | 26 | Yes |
Popular Name: 4-(4-isopropylphenyl)amino-6,7-dimethoxy-quinoline-3-carbonitrile 4-(4-isopropylphenyl)amino-6,7-d…
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) | 5.04 | 2.51 | -7.92 | 1 | 5 | 0 | 67 | 347.418 | 5 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
EGFR-3-E | Epidermal Growth Factor Receptor ErbB1 (cluster #3 Of 4), Eukaryotic | Eukaryotes | 230 | 0.36 | Binding ≤ 10μM |
ERBB2-2-E | Receptor Protein-tyrosine Kinase ErbB-2 (cluster #2 Of 3), Eukaryotic | Eukaryotes | 230 | 0.36 | Binding ≤ 10μM |
Z80475-3-O | SK-BR-3 (Breast Adenocarcinoma) (cluster #3 Of 3), Other | Other | 2910 | 0.30 | Functional ≤ 10μM |
Z80852-3-O | A-431 (Epidermoid Carcinoma Cells) (cluster #3 Of 3), Other | Other | 3020 | 0.30 | Functional ≤ 10μM |
Z81331-1-O | SW-620 (Colon Adenocarcinoma Cells) (cluster #1 Of 6), Other | Other | 3510 | 0.29 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 230 | 0.36 | Binding ≤ 1μM |
ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 230 | 0.36 | Binding ≤ 1μM |
EGFR_HUMAN | P00533 | Epidermal Growth Factor Receptor ErbB1, Human | 230 | 0.36 | Binding ≤ 10μM |
ERBB2_HUMAN | P04626 | Receptor Protein-tyrosine Kinase ErbB-2, Human | 230 | 0.36 | Binding ≤ 10μM |
Z80852 | Z80852 | A-431 (Epidermoid Carcinoma Cells) | 3020 | 0.30 | Functional ≤ 10μM |
Z80475 | Z80475 | SK-BR-3 (Breast Adenocarcinoma) | 2910 | 0.30 | Functional ≤ 10μM |
Z81331 | Z81331 | SW-620 (Colon Adenocarcinoma Cells) | 3510 | 0.29 | Functional ≤ 10μM |
Description | Species |
---|---|
Constitutive PI3K/AKT Signaling in Cancer | |
Downregulation of ERBB2:ERBB3 signaling | |
EGFR downregulation | |
EGFR interacts with phospholipase C-gamma | |
EGFR Transactivation by Gastrin | |
GAB1 signalosome | |
GRB2 events in EGFR signaling | |
GRB2 events in ERBB2 signaling | |
GRB7 events in ERBB2 signaling | |
PI3K events in ERBB2 signaling | |
PIP3 activates AKT signaling | |
PLCG1 events in ERBB2 signaling | |
Sema4D induced cell migration and growth-cone collapse | |
SHC1 events in EGFR signaling | |
SHC1 events in ERBB2 signaling | |
Signal transduction by L1 | |
Signaling by constitutively active EGFR | |
Signaling by EGFR | |
Signaling by ERBB2 | |
Signaling by ERBB4 |
No pre-computed analogs available. Try a structural similarity search.