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]
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) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 6
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
ChEBI ID
CHEMBL3109802
CAS Number
1494675-86-3
UNII
R3T98GBE3C
DrugBank ID
DB16243
TTD ID
DCYV91
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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.