Details of the Drug

General Information of Drug (ID: DMZPXRC)

Drug Name

Carzinophilin

Synonyms

CARZINOPHILIN; Cardinophyllin; Cardinophillin; Azinomycin; CARZINOPHILIN A; Carzinophyllin; NSC 20088; Antibiotic from Streptomyces Sahachiroi; BRN 5721373; C31H33N3O11; 1403-28-7; Carzinophilin (8CI); AC1MHU1X; Carzinophilin (8CI)(9CI); LS-52587; LS-52588; 11002-20-3; [(1S)-2-[[(1E)-1-[(3R,4R,5S)-3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-[[(E)-1-hydroxy-3-oxobut-1-en-2-yl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Approved	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

639.6

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

12

Chemical Identifiers

Formula: C31H33N3O12
IUPAC Name: N-[[7-[(1-acetylaziridin-2-yl)-hydroxymethyl]-9-(1,3-dioxobutan-2-ylidene)-3-hydroxy-4-methyl-2,11-dioxo-1,5,8-trioxa-10-azaspiro[5.5]undecan-4-yl]methyl]-3-methoxy-5-methylnaphthalene-1-carboxamide
Canonical SMILES: CC1=C2C=C(C=C(C2=CC=C1)C(=O)NCC3(C(C(=O)OC4(O3)C(OC(=C(C=O)C(=O)C)NC4=O)C(C5CN5C(=O)C)O)O)C)OC
InChI: InChI=1S/C31H33N3O12/c1-14-7-6-8-18-19(14)9-17(43-5)10-20(18)26(40)32-13-30(4)24(39)28(41)45-31(46-30)25(23(38)22-11-34(22)16(3)37)44-27(33-29(31)42)21(12-35)15(2)36/h6-10,12,22-25,38-39H,11,13H2,1-5H3,(H,32,40)(H,33,42)
InChIKey: GNGRYODSYNVRFD-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 227922
TTD ID: D0J5TS

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid major groove (hDNA maj)	TTY1GPO	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
2	Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.