2-(5-Bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
AlkaPlorer ID: AK598297
Synonym: None
IUPAC Name: 2-(5-bromo-2-hydroxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
Structure
SMILES: CC12CN3CC(C)(CN(C1)C3C1=CC(Br)=CC=C1O)C2=O
InChI: InChI=1S/C16H19BrN2O2/c1-15-6-18-8-16(2,14(15)21)9-19(7-15)13(18)11-5-10(17)3-4-12(11)20/h3-5,13,20H,6-9H2,1-2H3
InChIKey: ZXTWBPVQUCJZQS-UHFFFAOYSA-N
Reference
PubChem CID: 1067821
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 351.2440000000001
TPSA？: 43.78
MolLogP？: 2.379800000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 8912.5 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | DNA polymerase beta | Potency | 79432.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 56234.1 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 39810.7 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 35481.3 | nM | None |