Details of the Drug

General Information of Drug (ID: DM6UYN1)

Drug Name

MEN-10979

Synonyms

MEN 10979; AC1LA5PO

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus-1 infection	1C62	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

326.4

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C16H14N4S2
IUPAC Name: 2-ethyl-9-methyl-12-thia-2,4,9,17-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3(8),4,6,13(18),14,16-heptaene-10-thione
Canonical SMILES: CCN1C2=C(C(=S)N(C3=C1N=CC=C3)C)SC4=C2N=CC=C4
InChI: InChI=1S/C16H14N4S2/c1-3-20-13-12-11(7-5-8-17-12)22-14(13)16(21)19(2)10-6-4-9-18-15(10)20/h4-9H,3H2,1-2H3
InChIKey: YRSMQXBXGMENSN-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	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800008234)
2	New arylpyrido-diazepine and -thiodiazepine derivatives are potent and highly selective HIV-1 inhibitors targeted at the reverse transcriptase. Antiviral Res. 1996 May;30(2-3):109-24.