General Information of the Compound
| Compound ID |
CP0116655
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| Compound Name |
3-(9H-pyrido[2,3-b]indol-4-ylamino)phenol
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| Structure |
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| Formula |
C17H13N3O
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| Molecular Weight |
275.311
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| Canonical SMILES |
Oc1cccc(Nc2ccnc3[nH]c4ccccc4c23)c1
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| InChI |
InChI=1S/C17H13N3O/c21-12-5-3-4-11(10-12)19-15-8-9-18-17-16(15)13-6-1-2-7-14(13)20-17/h1-10,21H,(H2,18,19,20)
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| InChIKey |
RXPZOSHFGJWSLQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00859, Protein-tyrosine kinase 6
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 890 nM
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TI
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LO
TS
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