Details of the Drug

General Information of Drug (ID: DMJDV0K)

Drug Name

SPR720

Synonyms

UNII-1NL76YUU6E; 1NL76YUU6E; CHEMBL2221212; VXC-486 phosphate; SCHEMBL10323399; BDBM50112815; ZINC95566061; HY-135655A; CS-0127906; 1384984-31-9; 2-[5-[2-(ethylcarbamoylamino)-6-fluoro-7-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]pyrimidin-2-yl]propan-2-yl dihydrogen phosphate; N-Ethyl-N'-(6-fluoro-5-(2-(1-methyl-1-(phosphonooxy)ethyl)-5-pyrimidinyl)-7-((2R)-tetrahydro-2-furanyl)-1H-benzimidazol-2-yl)urea; Urea, N-ethyl-N'-(6-fluoro-5-(2-(1-methyl-1-(phosphonooxy)ethyl)-5-pyrimidinyl)-7-((2R)-tetrahydro-2-furanyl)-1H-benzimidazol-2-yl)-

Indication

Disease Entry	ICD 11	Status	REF
Mycobacterium infection	1B10-1B21	Phase 1/2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

508.4

Logarithm of the Partition Coefficient (xlogp)

0

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

5

Hydrogen Bond Acceptor Count (hbondacc)

10

Chemical Identifiers

Formula: C21H26FN6O6P
IUPAC Name: 2-[5-[2-(ethylcarbamoylamino)-6-fluoro-7-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]pyrimidin-2-yl]propan-2-yl dihydrogen phosphate
Canonical SMILES: CCNC(=O)NC1=NC2=C(N1)C=C(C(=C2[C@H]3CCCO3)F)C4=CN=C(N=C4)C(C)(C)OP(=O)(O)O
InChI: InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/t14-/m1/s1
InChIKey: COTQDURISRILOR-CQSZACIVSA-N

Cross-matching ID

PubChem CID: 68108988
CAS Number: 1384984-31-9
TTD ID: DURD59

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial DNA gyrase B (Bact gyrB)	TTS7LWX	GYRB_ECOLI	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT04553406) Phase 2a Safety, Tolerability, Pharmacokinetics and Efficacy of SPR720 for the Treatment of Patients With Mycobacterium Avium Complex (MAC) Pulmonary Disease. U.S. National Institutes of Health.
2	Advancement of GyrB Inhibitors for Treatment of Infections Caused by Mycobacterium tuberculosis and Non-tuberculous Mycobacteria. ACS Infect Dis. 2020 Jun 12;6(6):1323-1331.