Camonsertib
(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol
Molecular Identity
Camonsertib
(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID: 156487652
Camonsertib is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine substituted by 1H-pyrazol-3-yl, (3-endo)-3-hydroxy-8-oxabicyclo[3.2.1]octan-3-yl, and (3R)-3-methylmorpholin-4-yl groups at positions 1, 4 and 6, respectively. It is a highly potent and selective inhibitor of ATR kinase (IC50 = 1 nM). It has a role as an antineoplastic agent and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of imidazoles, a tertiary alcohol, a member of morpholines, a pyrazolopyridine and an oxabicycloalkane.
2D Structure
Properties
C21H26N6O3
Molecular Formula
410.50
Molecular Weight
g/mol
410.2066
Exact Mass
Da
1.6
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
628
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Camonsertib2417489-10-0RP-3500RP3500Rp 3500Camonsertib (USAN)Camonsertib [USAN]A1EIK(1R,5S)-3-[6-[(3R)-3-methylmorpholin-4-yl]-1-(1H-pyrazol-5-yl)pyrazolo[3,4-b]pyridin-4-yl]-8-oxabicyclo[3.2.1]octan-3-ol(3-endo)-3-(6-((R)-3-Methylmorpholino)-1-(1H-pyrazol-3-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl)-8-oxabicyclo[3.2.1]octan-3-olcamonsertibumATR inhibitor 4camonsertib [INN]Camonsertib [WHO-DD]Camonsertib (RP-3500)
Data from PubChem (NCBI)
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