Cryptolepine

Details

• Internal ID: 32040020-57d7-4272-b414-75b0824d7096
• Taxonomy: Organoheterocyclic compounds > Quinolines and derivatives > Indoloquinolines
• IUPAC Name: 5-methylindolo[3,2-b]quinoline
• InChI: InChI=1S/C16H12N2/c1-18-15-9-5-2-6-11(15)10-14-16(18)12-7-3-4-8-13(12)17-14/h2-10H,1H3
• InChI Key: KURWKDDWCJELSV-UHFFFAOYSA-N
• Popularity: 308 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₂N₂
• Molecular Weight: 232.28 g/mol
• Exact Mass: 232.100048391 g/mol
• Topological Polar Surface Area (TPSA): 17.80 Ų
• XlogP: 3.30

Synonyms

• 480-26-2
• CCRIS 9019
• 5-methylindolo[3,2-b]quinoline
• 5H-Quindoline, 5-methyl-
• CHEBI:3930
• OF1UIT4RDH
• DTXSID6037645
• 5-methylindolo(3,2-b)quinoline
• RefChem:128608
• DTXCID4017645
• 5-methylquinolo(2',3'-3,2)indole
• 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE
• Cryptolepine hydrate
• NSC647765
• 5-Methyl-5H-quindoline hydrate
• 5-Methylquindoline
• UNII-OF1UIT4RDH
• C09142
• SCHEMBL542771
• CHEMBL119096
• SCHEMBL30419030
• KURWKDDWCJELSV-UHFFFAOYSA-N
• BDBM50412201
• BDBM50589259
• MFCD17215953
• Q5190964

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2916	O14746	Telomerase reverse transcriptase	9400 nM; 9400 nM	IC50; IC50	PMID: 23974014; DOI: 10.1039/C0MD00241K

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1951	P21397	Monoamine oxidase A	94.82%	91.49%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.11%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	93.09%	86.33%
CHEMBL2581	P07339	Cathepsin D	92.72%	98.95%
CHEMBL240	Q12809	HERG	92.27%	89.76%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	88.28%	94.62%
CHEMBL1899	P46098	Serotonin 3a (5-HT3a) receptor	87.76%	100.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.22%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.41%	85.14%
CHEMBL5805	Q9NR97	Toll-like receptor 8	84.24%	96.25%
CHEMBL3192	Q9BY41	Histone deacetylase 8	83.90%	93.99%
CHEMBL3401	O75469	Pregnane X receptor	82.81%	94.73%
CHEMBL1914	P06276	Butyrylcholinesterase	82.54%	95.00%
CHEMBL2095172	P14867	GABA-A receptor; alpha-1/beta-2/gamma-2	80.76%	92.67%
CHEMBL1936	P10721	Stem cell growth factor receptor	80.28%	84.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	80.09%	94.00%

Plants that contains it

• Cryptolepis sanguinolenta
• Micropholis guyanensis
• Sida acuta
• Wisteria brachybotrys

Cross-Links

• PubChem: 82143
• NPASS: NPC296163
• ChEMBL: CHEMBL119096
• LOTUS: LTS0148657
• wikiData: Q5190964