Details of the Drug

General Information of Drug (ID: DM6GLSF)

Drug Name

UK-129485

Synonyms

UK-129485; CHEMBL42906; 8-Ethyl-6-methoxy-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene; AC1L9UO4; CTK7A8639; BDBM50050632; UK-129,485

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)

307.35

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C17H17N5O
IUPAC Name: 13-ethyl-16-methoxy-3-methyl-2,5,11,13,15-pentazatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),3,5,7(12),8,10,15,17-octaene
Canonical SMILES: CCN1C2=C(C=CC=N2)C3=NC=C(N3C4=C1N=C(C=C4)OC)C
InChI: InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-9-18-15)16-19-10-11(2)22(16)13-7-8-14(23-3)20-17(13)21/h5-10H,4H2,1-3H3
InChIKey: WCIBELXOPRCLEG-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Imidazo[2 3 :6,5]dipyrido[3,2-b:2 3 e]-1,4-diazepines: non-nucleoside HIV-1 reverse transcriptase inhibitors with greater enzyme affinity than nevirapine, Bioorg. Med. Chem. Lett. 2(12):1745-1750(1992).