Details of the Drug

General Information of Drug (ID: DMBEUN6)

Drug Name

SRI-3072

Synonyms

Mycobacterium tuberculosis FtsZ polymerization inhibitors, Southern Research Institute; SRI-7614; Antimycobacterials (alkoxycarbonylaminopyridines), Southern Research Institute

Indication

Disease Entry	ICD 11	Status	REF
Mycobacterium infection	1B10-1B21	Terminated	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 3

Molecular Weight (mw)

540.7

Logarithm of the Partition Coefficient (xlogp)

6.4

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C32H40N6O2
IUPAC Name: ethyl N-[8-[[5-(diethylamino)-4-methylpentan-2-yl]amino]-2,3-diphenylpyrido[2,3-b]pyrazin-6-yl]carbamate
Canonical SMILES: CCN(CC)CC(C)CC(C)NC1=CC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC
InChI: InChI=1S/C32H40N6O2/c1-6-38(7-2)21-22(4)19-23(5)33-26-20-27(35-32(39)40-8-3)34-31-30(26)36-28(24-15-11-9-12-16-24)29(37-31)25-17-13-10-14-18-25/h9-18,20,22-23H,6-8,19,21H2,1-5H3,(H2,33,34,35,37,39)
InChIKey: MKJUVACMILVNTO-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 493469
TTD ID: D09PTL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Enzyme unspecific (Enz)	TT3C1VN	NOUNIPROTAC	Inhibitor	[1]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	2-Alkoxycarbonylaminopyridines: inhibitors of Mycobacterium tuberculosis FtsZ. J Antimicrob Chemother. 2002 Jul;50(1):111-4.