Details of the Drug

General Information of Drug (ID: DMK7VS1)

Drug Name

CHLOROCYCLINONE D

Synonyms

CHLOROCYCLINONE D; CHEMBL400132; BDBM50228361

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)

438.8

Logarithm of the Partition Coefficient (xlogp)

4.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C23H15ClO7
IUPAC Name: 16-chloro-4,21-dihydroxy-15-methoxy-6,17-dimethyl-7-oxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(21),3(11),4,9,13,15,17,19-octaene-2,8,12-trione
Canonical SMILES: CC1C2=C(C3=C(C=C2C(=O)O1)C(=O)C4=C5C(=CC(=C4C3=O)O)C=C(C(=C5OC)Cl)C)O
InChI: InChI=1S/C23H15ClO7/c1-7-4-9-5-12(25)16-17(14(9)22(30-3)18(7)24)19(26)10-6-11-13(8(2)31-23(11)29)20(27)15(10)21(16)28/h4-6,8,25,27H,1-3H3
InChIKey: RSSUHOCYQSARQQ-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
PPAR-gamma messenger RNA (PPARG mRNA)	TTT2SVW	PPARG_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Chlorocyclinones A-D, chlorinated angucyclinones from Streptomyces sp. strongly antagonizing rosiglitazone-induced PPAR-gamma activation. J Nat Prod. 2007 Dec;70(12):1934-8.