SNDX-5613

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Synonyms
Status
Molecule Category Free-form
UNII 75HI05N8HS

Structure

InChI Key AXNUWYROYVRYIM-OQIJCFCCSA-N
Smiles CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.CCN(C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@H]3CC[C@H](NS(=O)(=O)CC)CC3)CC2)C1)C(C)C.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O
InChI
InChI=1S/2C32H47FN6O4S.3C4H4O4/c2*1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2;3*5-3(6)1-2-4(7)8/h2*9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3;3*1-2H,(H,5,6)(H,7,8)/b;;3*2-1+/t2*24-,26-;;;

Physicochemical Descriptors

Property Name Value
Molecular Formula C76H106F2N12O20S2
Molecular Weight 1609.88
AlogP 4.68
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 11.0
Polar Surface Area 107.97
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 44.0

Pharmacology

Mechanism of Action Action Reference
Menin/Histone-lysine N-methyltransferase MLL inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEMBL CHEMBL4650278
FDA SRS 75HI05N8HS
CONTENTS