Details of the Drug

General Information of Drug (ID: DMN84RM)

Drug Name

6-Formylindolo[3,2-b]carbazole

Synonyms

Indolo[3,2-b]carbazole-6-carbaldehyde; 1555757-10-2; indolo[3,2-b]carbazole-12-carbaldehyde; SCHEMBL528518; ANW-57186; MFCD23140892; ZINC39957465; AKOS015837457; AKOS025396684; FT-0678209

Indication

Disease Entry	ICD 11	Status	REF
Dermatitis	EA80-EA89	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

282.3

Topological Polar Surface Area (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H10N2O
IUPAC Name: indolo[3,2-b]carbazole-12-carbaldehyde
Canonical SMILES: C1=CC2=C3C=C4C(=C5C=CC=CC5=N4)C(=C3N=C2C=C1)C=O
InChI: InChI=1S/C19H10N2O/c22-10-14-18-12-6-2-4-8-16(12)20-17(18)9-13-11-5-1-3-7-15(11)21-19(13)14/h1-10H
InChIKey: OTWFDHQTFRXSAK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 22245026
TTD ID: DFBJ28

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Aryl hydrocarbon receptor (AHR)	TT037IE	AHR_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Protective role of 6-formylindolo[3,2-b]carbazole (FICZ), an endogenous ligand for arylhydrocarbon receptor, in chronic mite-induced dermatitis. J Dermatol Sci. 2018 Jun;90(3):284-294.
2	6-Formylindolo(3,2-b)carbazole induced aryl hydrocarbon receptor activation prevents intestinal barrier dysfunction through regulation of claudin-2 expression. Chem Biol Interact. 2018 May 25;288:83-90.
3	A Phase I study of the angiogenesis inhibitor SU5416 (semaxanib) in solid tumours, incorporating dynamic contrast MR pharmacodynamic end points. Br J Cancer. 2005 Oct 17;93(8):876-83.
4	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5	Clinical pipeline report, company report or official report of Ikena Oncology.
6	ClinicalTrials.gov (NCT04069026) A First-in-Humans Dose Finding Study for an Aryl Hydrocarbon Receptor Inhibitor (AhRi) in Patients With Advanced Cancer. U.S. National Institutes of Health.
7	In silico identification of an aryl hydrocarbon receptor antagonist with biological activity in vitro and in vivo. Mol Pharmacol. 2014 Nov;86(5):593-608.
8	1'H-Indole-3'-Carbonyl-Thiazole-4-Carboxylic Acid Methyl Ester Blocked Human Glioma Cell Invasion via Aryl Hydrocarbon Receptor's Regulation of Cytoskeletal Contraction. Biomed Res Int. 2020 Oct 3;2020:2616930.
9	Novel compound 2-methyl-2H-pyrazole-3-carboxylic acid (2-methyl-4-o-tolylazo-phenyl)-amide (CH-223191) prevents 2,3,7,8-TCDD-induced toxicity by antagonizing the aryl hydrocarbon receptor. Mol Pharmacol. 2006 Jun;69(6):1871-8.