Details of the Drug

General Information of Drug (ID: DMZA394)

Drug Name

CHLOROCYCLINONE A

Synonyms

CHLOROCYCLINONE A; CHEMBL253120; BDBM50228358; methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxo-7,12-dihydrotetraphene-10-carboxylate

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): 1

Molecular Weight (mw)

454.9

Logarithm of the Partition Coefficient (xlogp)

5.6

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C24H19ClO7
IUPAC Name: methyl 2-chloro-9-ethyl-6,8-dihydroxy-1-methoxy-3-methyl-7,12-dioxobenzo[a]anthracene-10-carboxylate
Canonical SMILES: CCC1=C(C=C2C(=C1O)C(=O)C3=C(C=C4C=C(C(=C(C4=C3C2=O)OC)Cl)C)O)C(=O)OC
InChI: InChI=1S/C24H19ClO7/c1-5-11-12(24(30)32-4)8-13-16(20(11)27)22(29)17-14(26)7-10-6-9(2)19(25)23(31-3)15(10)18(17)21(13)28/h6-8,26-27H,5H2,1-4H3
InChIKey: NFJVYTZFJNVKBA-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 24762579
TTD ID: D0D0FQ

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)

MIA Detail

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.