Details of the Drug

General Information of Drug (ID: DM8DZKI)

Drug Name

TNP-2092

Synonyms

UNII-W2P7EF7O6O; W2P7EF7O6O; CBR-2092; CHEMBL4594404; 3-((E)-((4-((1-((3R)-1-(3-Carboxy-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizin-8-yl)-3-pyrrolidinyl)cyclopropyl)methylamino)-1-piperidinyl)imino)methyl)rifamycin; Rifamycin, 3-((E)-((4-((1-((3R)-1-(3-carboxy-1-cyclopropyl-7-fluoro-9-methyl-4-oxo-4H-quinolizin-8-yl)-3-pyrrolidinyl)cyclopropyl)methylamino)-1-piperidinyl)imino)methyl)-

Indication

Disease Entry	ICD 11	Status	REF
Skin and skin-structure infection	1F28-1G0Z	Phase 2	[1]
Joint infection	FA10	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 5

Molecular Weight (mw)

1205.4

Logarithm of the Partition Coefficient (xlogp)

5.9

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C65H81FN6O15
IUPAC Name: 8-[(3R)-3-[1-[[1-[(E)-[(7S,9E,11S,12S,13S,14S,15R,16R,17S,18S,19E,21Z)-13-acetyloxy-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-26-yl]methylideneamino]piperidin-4-yl]-methylamino]cyclopropyl]pyrrolidin-1-yl]-1-cyclopropyl-7-fluoro-9-methyl-4-oxoquinolizine-3-carboxylic acid
Canonical SMILES: C[C@H]1/C=C/C=C(\\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCC(CC5)N(C)C6(CC6)[C@@H]7CCN(C7)C8=C(C9=C(C=C(C(=O)N9C=C8F)C(=O)O)C1CC1)C)/C
InChI: InChI=1S/C65H81FN6O15/c1-31-13-12-14-32(2)61(80)68-50-44(56(77)47-48(57(50)78)55(76)37(7)59-49(47)60(79)64(9,87-59)85-26-20-46(84-11)33(3)58(86-38(8)73)36(6)54(75)35(5)53(31)74)28-67-71-24-18-41(19-25-71)69(10)65(21-22-65)40-17-23-70(29-40)52-34(4)51-42(39-15-16-39)27-43(63(82)83)62(81)72(51)30-45(52)66/h12-14,20,26-28,30-31,33,35-36,39-41,46,53-54,58,74-78H,15-19,21-25,29H2,1-11H3,(H,68,80)(H,82,83)/b13-12+,26-20+,32-14-,67-28+/t31-,33-,35+,36-,40+,46-,53-,54+,58+,64-/m0/s1
InChIKey: OPZFMLLAJBIKAN-YSBZUPOXSA-N

Cross-matching ID

PubChem CID: 145722022
CAS Number: 922717-97-3
UNII: W2P7EF7O6O
DrugBank ID: DB16312
TTD ID: D4M8RS

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA gyrase (Bact gyrase)	TTN6J5F	GYRA_STAAU ; GYRB_STAAU	Inhibitor	[3]
Bacterial DNA topoisomerase 4A (Bact parC)	TTFK8YB	PARC_ECOLI	Inhibitor	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT03964493) TNP-2092 to Treat Acute Bacterial Skin and Skin Structure Infection (P2_ABSSSI). U.S. National Institutes of Health.
2	ClinicalTrials.gov (NCT04294862) Tissue Distribution, Pharmacokinetics, Safety, and Tolerability After a Single Dose of TNP-2092 in Participants Undergoing Primary Total Hip or Knee Arthroplasty. U.S. National Institutes of Health.
3	Clinical pipeline report, company report or official report of TenNor Therapeutics.