Batzelline D

Details

• Internal ID: f8945f81-e71b-4725-87c4-ed91ed22fda0
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives
• IUPAC Name: 9-chloro-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
• InChI: InChI=1S/C10H7ClN2O2/c11-6-7-5-4(1-2-12-7)3-13-8(5)10(15)9(6)14/h3,14-15H,1-2H2
• InChI Key: ZLXVNMMVYGCTDX-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₇ClN₂O₂
• Molecular Weight: 222.63 g/mol
• Exact Mass: 222.0196052 g/mol
• Topological Polar Surface Area (TPSA): 65.20 Ų
• XlogP: -0.30

Synonyms

• 437980-22-8
• NSC 741157
• Pyrrolo(4,3,2-de)quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-
• 9-chloro-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaene-10,11-diol
• Pyrrolo[4,3,2-de]quinoline-7,8-dione, 6-chloro-1,3,4,5-tetrahydro-
• OACZASFROFWUOT-UHFFFAOYSA-
• DTXSID50963116
• NSC741157
• NSC-741157
• 6-Chloro-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione
• InChI=1/C10H7ClN2O2/c11-6-7-5-4(1-2-12-7)3-13-8(5)10(15)9(6)14/h3,12-13H,1-2H2

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.55%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	84.23%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	83.93%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 456175
• LOTUS: LTS0054956
• wikiData: Q82944926