inogatran

Inogatran (INN) is a low molecular weight peptidomimetic thrombin inhibitor. Inogatran was developed for the potential treatment of arterial and venous thrombotic diseases.

In the Vinony graph

Vinony's link graph records 114 inbound references to inogatran, and connects out to molar mass, hirudin and coagulation factor X.

Vinony files it under Chembox image size set, Cyclohexyl compounds and Direct thrombin inhibitors.

Vinony links it to 4 Wikipedia language editions.

Chemical data

Formula: C21H38N6O4
Molecular weight: 438.6 g/mol
IUPAC name: 2-[[(2R)-3-cyclohexyl-1-[(2S)-2-[3-(diaminomethylideneamino)propylcarbamoyl]piperidin-1-yl]-1-oxopropan-2-yl]amino]acetic acid
SMILES: C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O
InChIKey: CDPROXZBMHOBTQ-SJORKVTESA-N
XLogP: -1.2
Polar surface area: 163 Å²
H-bond donors: 5
H-bond acceptors: 6
Formal charge: 0

via PubChem

Drug data · ChEMBL

Max clinical phase: Phase 2
Molecule type: Small molecule

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Mass: 438.295

Show 4 more facts

canonical SMILES: C1CCC(CC1)CC(C(=O)N2CCCCC2C(=O)NCCCN=C(N)N)NCC(=O)O
isomeric SMILES: C1CCC(CC1)C[C@H](C(=O)N2CCCC[C@H]2C(=O)NCCCN=C(N)N)NCC(=O)O
chemical formula: C₂₁H₃₈N₆O₄
Commons category: Inogatran

Sources (2)

via Wikidata · CC0

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Encyclopedic overview

1 sections

Contents

References

{{chembox | ImageFile = Inogatran.svg | ImageClass = skin-invert-image | ImageSize = 275px | ImageAlt = | IUPACName = 2-{[(2R)-1-[(2S)-2-[(4-Carbamimidamidopropyl)carbamoyl]piperidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino}acetic acid | OtherNames = N-[(1R)-2-Cyclohexyl-1-[[(2S)-2-[(3-guanidinopropyl)carbamoyl]piperidino]carbonyl]ethyl]glycine

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Excerpted from Wikipedia’s “inogatran” article, available under the CC BY-SA 4.0 licence.