Details of the Drug

General Information of Drug (ID: DMTWEQP)

Drug Name

Naphthyridinomycin

Synonyms

AC1MJ44U; 62046-87-1; DADMe-ImmH

Indication

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

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

417.5

Logarithm of the Partition Coefficient (xlogp)

-1.1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

9

Chemical Identifiers

Formula: C21H27N3O6
IUPAC Name: (4R,9R,16R,18R,21S)-21-hydroxy-16-(hydroxymethyl)-13-methoxy-12,20-dimethyl-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-11,14-dione
Canonical SMILES: CC1=C(C(=O)C2=C(C1=O)[C@@H]3[C@H]4C5C(CC(N5C)[C@@H](N4[C@H]2CO)O)[C@@H]6N3CCO6)OC
InChI: InChI=1S/C21H27N3O6/c1-8-17(26)13-12(18(27)19(8)29-3)11(7-25)24-16-14-9(6-10(20(24)28)22(14)2)21-23(15(13)16)4-5-30-21/h9-11,14-16,20-21,25,28H,4-7H2,1-3H3/t9?,10?,11-,14?,15+,16+,20-,21+/m0/s1
InChIKey: SXDWNOFDSOXRRM-KZXGJYSISA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Penicillin binding protein (Bact PBP)	TTJP4SM	NOUNIPROTAC	Not Available	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Naphthyridinomycin-DNA adducts: a molecular modeling study. J Antibiot (Tokyo). 1991 Aug;44(8):885-94.