Tapotoclax
(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
Molecular Identity
Tapotoclax
(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
PubChem CID: 118910268
2D Structure
Properties
C33H41ClN2O5S
Molecular Formula
613.20
Molecular Weight
g/mol
612.2425
Exact Mass
Da
6.8
XLogP
Above Lipinski threshold
93.3
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
6
H-Bond Acceptors
1110
Complexity
SMILES
Canonical SMILES
SMILES: CC1CC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)C1C)OCIsomeric SMILES
SMILES: C[C@H]1C/C=C/[C@@H]([C@@H]2CC[C@H]2CN3C[C@@]4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)[C@@H]1C)OCSynonyms(20)
TapotoclaxAMG-1761883727-34-1AMG176MCL-1 inhibitor AMG 176MCL-1 inhibitor AMG-176AMG 17697W7N9T08GRefChem:187435Tapotoclax [USAN](3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13lambda6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-oneCHEMBL4446378EX-A2666AKOS040741103AC-36265
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Tapotoclax
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