Details of the Drug

General Information of Drug (ID: DMZTOJ6)

Drug Name

TBA-7371

Synonyms

1494675-86-3; DprE1-IN-1; AZ7371; N-(2-hydroxyethyl)-1-((6-methoxy-5-methylpyrimidin-4-yl)methyl)-6-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxamide; UNII-R3T98GBE3C; AZ-7371; R3T98GBE3C; CHEMBL3109802; 1H-Pyrrolo(3,2-b)pyridine-3-carboxamide, N-(2-hydroxyethyl)-1-((6-methoxy-5-methyl-4-pyrimidinyl)methyl)-6-methyl-; 1H-Pyrrolo[3,2-b]pyridine-3-carboxamide, N-(2-hydroxyethyl)-1-[(6-methoxy-5-methyl-4-pyrimidinyl)methyl]-6-methyl-; ZA7371; AZ-7371DprE1-IN-1; AZ7371;DprE1-IN-1; SCHEMBL16395186; EX-A777; BCP16818; BDBM50019654; MFCD29477419; ZINC103248024; CS-5414; ZA-7371; HY-19750; FT-0700212; J-690193; N-(2-Hydroxyethyl)-1-((6-methoxy-5-methylpyrimidin-4-yl)methyl)-6- methyl-1H-pyrrolo(3,2-b)pyridine-3-carboxamide; N-(2-hydroxyethyl)-1-[(6-methoxy-5-methyl-pyrimidin-4-yl)methyl]-6-methyl-pyrrolo[3,2-b]pyridine-3-carboxamide; N-(2-hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide

Indication

Disease Entry	ICD 11	Status	REF
Tuberculosis	1B10-1B14	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

355.4

Logarithm of the Partition Coefficient (xlogp)

0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C18H21N5O3
IUPAC Name: N-(2-hydroxyethyl)-1-[(6-methoxy-5-methylpyrimidin-4-yl)methyl]-6-methylpyrrolo[3,2-b]pyridine-3-carboxamide
Canonical SMILES: CC1=CC2=C(C(=CN2CC3=C(C(=NC=N3)OC)C)C(=O)NCCO)N=C1
InChI: InChI=1S/C18H21N5O3/c1-11-6-15-16(20-7-11)13(17(25)19-4-5-24)8-23(15)9-14-12(2)18(26-3)22-10-21-14/h6-8,10,24H,4-5,9H2,1-3H3,(H,19,25)
InChIKey: VDRYGTNDKXIPSK-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 72792692
CAS Number: 1494675-86-3
DrugBank ID: DB16243
TTD ID: DCYV91

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mycobacterium Decaprenylphosphoryl-beta-D-ribose oxidase (McyB dprE1)	TTLOHU4	DPRE1_MYCTU	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 (NCT03199339) A Phase 1 Study to Evaluate Safety, Tolerability, PK, and PK Interactions of TBA-7371. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of TB Alliance.