Tanogitran
Completing data — refresh the page later to see the latest
Basic information
- CAS
637328-69-9- Standard SMILES
Cn1c(CNc2ccc(C(=N)N)cc2)nc2cc([C@@](C)(NCC(=O)O)C(=O)N3CCCC3)ccc21- InChIKey
MAOALPSHCIBFJZ-RUZDIDTESA-N- Molecular formula
- C25H31N7O3
- Average molar mass
- 477.6 g/mol
- Monoisotopic mass
- 477.24883788
Overview
Tanogitran is a small molecule drug. Tanogitran is under investigation in clinical trial NCT02254057 (Tolerability and Pharmacokinetics/-Dynamics of Single Rising Doses BIBT 986 BS in Healthy Male Subjects). Tanogitran has a monoisotopic molecular weight of 477.25 Da.
Names & identifiers
- Preferred name
- Tanogitran
- IUPAC
- 2-[[(2R)-2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]acetic acid
- English name
- Tanogitran
- Molecular formula
- C25H31N7O3
- Molecular weight
- 477.56
Names & synonyms
TanogitranTanogitran [INN]UNII-X5QRR6Z56QX5QRR6Z56QBIBT986BIBT-986-BSBIBT-986N-((2R)-2-(2-((4-Carbamimidoylanilino)methyl)-1-methyl-1H-benzimidazol-5-yl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)glycineTANOGITRANUMRefChem:187389637328-69-92-[[(2R)-2-[2-[(4-carbamimidoylanilino)methyl]-1-methylbenzimidazol-5-yl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]acetic acid
Show more names
BIBT 986Tanogitran USP/EP/BPN-[(1R)-1-[2-[[[4-(Aminoiminomethyl)phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]-1-methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]glycineGlycine, N-[(1R)-1-[2-[[[4-(aMinoiMinoMethyl)phenyl]aMino]Methyl]-1-Methyl-1H-benziMidazol-5-yl]-1-Methyl-2-oxo-2-(1-pyrrolidinyl)ethyl]-
CHEMBL1270156orb1699177SCHEMBL2471738SCHEMBL29456575DTXSID70870373MAOALPSHCIBFJZ-RUZDIDTESA-NBDBM50328705AKOS040749614
Database identifiers
- CAS
637328-69-9- PubChem CID
- 9826322
- DTXSID
DTXSID70870373- ChEMBL
CHEMBL1270156- UNII
- X5QRR6Z56Q
- Nikkaji
- J3.538.630K
Properties
Computed structural propertiesFilling in
- XLogP
- -1
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 781
Physicochemical properties
- Density
- 1.38 · 1.38
- FDA UNII
- 5 QRR6Z56Q · X5QRR6Z56Q
Chemistry & industry
Applications
UsesTanogitran is a dual inhibitor targeting Factor Xa and thrombin (thrombin), with Ki values of 26 and 2.7 nM, respectively. Tanogitran exhibits anticoagulant activity and can be used for research in thrombotic diseases[1][2].
Related reactions
5 records
Compound notes
Loading…