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Chemical structure of TAK-615

GC61313

TAK-615

Also known as 4-[[cyclopropylmethyl-[4-(2-fluorophenoxy)benzoyl]amino]methyl]benzoic acid

TAK-615 is a negative allosteric modulator (NAM) of the LPA1 receptor for the research of pulmonary fibrosis

ChemicalCAS1664335-55-0MW419.44FormulaC25H22FNO4
CAS number
1664335-55-0
Molecular weight
419.44
Formula
C25H22FNO4
Solubility
DMSO： 125 mg/mL (298·02 mM)
InChIKey
LEZVXIZCJXKBJY-UHFFFAOYSA-N
Catalogue number
GC61313
Brand
GLPBIO
Computed properties PubChem CID 90659729 · XLogP 4.8 · TPSA 66.8 Ų · H-bond donors 1
XLogP
4.8
TPSA
66.8 Ų
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

SMILES C1CC1CN(CC2=CC=C(C=C2)C(=O)O)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4F

Computed descriptors from PubChem (CID 90659729), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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