Details of the Drug

General Information of Drug (ID: DMMNQE3)

Drug Name

ACH-702

Synonyms

ACH-702; UNII-35QF8GE1L1; 35QF8GE1L1; CHEMBL1256993; ACH702; ACH 702; SCHEMBL728226; BDBM50330327; Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 7-((3R)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-9-cyclopropyl-6-fluoro-8-methoxy-; 922491-46-1; (R)-7-[3-(1-amino-1-methyl-ethyl)-pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-9H isothiazolo[5,4-b]quinoline-3,4-dione; (r)-7-(3-(2-aminopropan-2-yl)pyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-8-methoxyisothiazolo[5,4-b]quinoline-3,4(2h,9h)-dione

Indication

Disease Entry	ICD 11	Status	REF
Bacterial infection	1A00-1C4Z	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

432.5

Logarithm of the Partition Coefficient (xlogp)

2.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C21H25FN4O3S
IUPAC Name: 7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
Canonical SMILES: CC(C)([C@@H]1CCN(C1)C2=C(C=C3C(=C2OC)N(C4=C(C3=O)C(=O)NS4)C5CC5)F)N
InChI: InChI=1S/C21H25FN4O3S/c1-21(2,23)10-6-7-25(9-10)16-13(22)8-12-15(18(16)29-3)26(11-4-5-11)20-14(17(12)27)19(28)24-30-20/h8,10-11H,4-7,9,23H2,1-3H3,(H,24,28)/t10-/m1/s1
InChIKey: CECJUHKZSOSOJJ-SNVBAGLBSA-N

Cross-matching ID

PubChem CID: 16048804
CAS Number: 922491-46-1
TTD ID: D05LOY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Haemophilus influenzae DNA gyrase A (Hae-influ gyrA)	TTE72ID	GYRA_HAEIN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	In vitro antituberculosis activities of ACH-702, a novel isothiazoloquinolone, against quinolone-susceptible and quinolone-resistant isolates. Antimicrob Agents Chemother. 2010 Aug;54(8):3478-80.