Details of the Drug

General Information of Drug (ID: DMAVM94)

Drug Name

Kuanoniamine D

Synonyms

Kuanoniamine D; CHEMBL127872; BDBM50030271; N-[2-(8H-6-Thia-3,4,8-triaza-benzo[de]cyclopenta[b]anthracen-7-yl)-ethyl]-acetamide; Acetamide, N-(2-(8H-pyrido(4,3,2-mn)thiazolo(4,5-b)acridin-9-yl)ethyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

360.4

Logarithm of the Partition Coefficient (xlogp)

3.5

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C20H16N4OS
IUPAC Name: N-[2-(4-thia-6,9,19-triazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),5,8,10,12(20),13,15,17-nonaen-2-yl)ethyl]acetamide
Canonical SMILES: CC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2
InChI: InChI=1S/C20H16N4OS/c1-11(25)21-8-7-14-17-16-13(12-4-2-3-5-15(12)24-17)6-9-22-18(16)19-20(14)26-10-23-19/h2-6,9-10,24H,7-8H2,1H3,(H,21,25)
InChIKey: GUSIRVISUKPQFL-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 10067080
CAS Number: 133401-13-5
TTD ID: D0M8NW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A1 receptor (ADORA1)	TTK25J1	AA1R_HUMAN	Inhibitor	[1]
Adenosine A2a receptor (ADORA2A)	TTM2AOE	AA2AR_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Bioactive pyridoacridine alkaloids from the micronesian sponge Oceanapia sp. J Nat Prod. 1998 Feb;61(2):301-5.