General Information of the Compound
| Compound ID |
CP0138773
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| Compound Name |
4-Anilinoquinazoline deriv. 45
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| Synonyms |
169205-78-1
4,6-Quinazolinediamine, N4-(3-bromophenyl)-
4-Anilinoquinazoline deriv. 45
4-N-(3-bromophenyl)quinazoline-4,6-diamine
6-amino 4-(3-bromoanilino)quinazoline
AC1NS3N2
AK-25174
AKOS013915836
ANW-50332
Anilinoquinazoline, 4b
BCP18882
BDBM3294
C14H11BrN4
CHEMBL52765
CTK4D3225
DTXSID40416141
GS-4221
IZQHULBHKPGOAP-UHFFFAOYSA-N
KS-00000HMR
MolPort-009-198-483
N*4*-(3-Bromo-phenyl)-quinazoline-4,6-diamine
N4-(3-Bromophenyl)quinazoline-4,6-diamine
N4-(3-bromophenyl)-4,6-quinazolinediamine
SCHEMBL1417740
ZINC3815034
nchembio866-comp32
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| Structure |
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| Formula |
C14H11BrN4
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| Molecular Weight |
315.174
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| Canonical SMILES |
Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C14H11BrN4/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,16H2,(H,17,18,19)
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| InChIKey |
IZQHULBHKPGOAP-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: PT00922, Epidermal growth factor receptor
Cell-based Assay
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 42000 nM
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| CL000157 | NCI-H1975 | Homo sapiens (Human) | 1 |
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IC50 = 19500 nM
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LO
TS
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Clinical Information about the Compound