Onametostat
(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
Molecular Identity
Onametostat
(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
PubChem CID: 126637809
2D Structure
Properties
C22H23BrN6O2
Molecular Formula
483.40
Molecular Weight
g/mol
482.1066
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
136
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
7
H-Bond Acceptors
631
Complexity
SMILES
Canonical SMILES
SMILES: C1C(C(C(C1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)NIsomeric SMILES
SMILES: C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)NSynonyms(20)
JNJ-646191782086772-26-9OnametostatN8VKI8FPW0JNJ64619178(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol(1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)cyclopentane-1,2-diol(1S,2R,3S,5R)-3-(2-(2-Amino-3-bromoquinolin-7-yl)ethyl)-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol1,2-Cyclopentanediol, 3-(2-(2-amino-3-bromo-7-quinolinyl)ethyl)-5-(4-amino-7H-pyrrolo(2,3-d)pyrimidin-7-yl)-, (1S,2R,3S,5R)-1,2-Cyclopentanediol, 3-[2-(2-amino-3-bromo-7-quinolinyl)ethyl]-5-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, (1S,2R,3S,5R)-(1S,2R,3S,5R)-3-(2-(2-amino-3-bromoquinolin-7-yl)ethyl)-5-(4-aminopyrrolo(2,3-d)pyrimidin-7-yl)cyclopentane-1,2-diol(1S,2R,3S,5R)-3-[2-(2-amino-3-bromoquinolin-7-yl)ethyl]-5-{4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl}cyclopentane-1,2-diolRefChem:168239PRMT5 Inhibitor JNJ-64619178JNJ 64619178
Data from PubChem (NCBI)
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