Gsk-3008348
(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
Molecular Identity
Gsk-3008348
(3S)-3-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-4-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidin-1-yl]butanoic acid;hydrochloride
PubChem CID: 86272868
2D Structure
Properties
C29H38ClN5O2
Molecular Formula
524.10
Molecular Weight
g/mol
523.2714
Exact Mass
Da
83.3
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
722
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=NN1C2=CC=CC(=C2)C(CC(=O)O)CN3CCC(C3)CCC4=NC5=C(CCCN5)C=C4)C.ClIsomeric SMILES
SMILES: CC1=CC(=NN1C2=CC=CC(=C2)[C@H](CC(=O)O)CN3CC[C@H](C3)CCC4=NC5=C(CCCN5)C=C4)C.ClSynonyms(20)
GSK3008348GSK-300834833W7SJ9TBX2365406-14-8(3S)-3-(3-(3,5-dimethylpyrazol-1-yl)phenyl)-4-((3R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl)pyrrolidin-1-yl)butanoic acidRefChem:922536GSK3008348 monohydrochlorideGSK3008348E1629249-40-6GSK-3008348 hydrochlorideRGD-mimetic-1orb1707179CHEMBL4246089SCHEMBL18092914SCHEMBL30649096
Data from PubChem (NCBI)
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