Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H43N5O4 |
| Molecular Weight | 561.7149 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CC[C@H](N1C(=O)[C@H](CN(CC2)C(=O)CC(C)C)NC(=O)[C@H](C)NC)C(=O)NCC3=C(C=CC=C3)C4=CC=CC=C4
InChI
InChIKey=SZVCBOBNBHXZKC-MZRLSVQCSA-N
InChI=1S/C32H43N5O4/c1-21(2)18-29(38)36-17-16-25-14-15-28(37(25)32(41)27(20-36)35-30(39)22(3)33-4)31(40)34-19-24-12-8-9-13-26(24)23-10-6-5-7-11-23/h5-13,21-22,25,27-28,33H,14-20H2,1-4H3,(H,34,40)(H,35,39)/t22-,25+,27-,28-/m0/s1
| Molecular Formula | C32H43N5O4 |
| Molecular Weight | 561.7149 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21443232
Curator's Comment: Description was created based on several sources, including https://www.ncbi.nlm.nih.gov/pubmed/21443232
AT-406 (DEBIO-1143, SM-406), is a potent and orally bioavailable Smac mimetic and an antagonist of the inhibitor of apoptosis proteins (IAPs). AT-406 inhibits cancer cell growth in various human cancer cell lines. It has good oral bioavailability in mice, rats, non-human primates, and dogs, is highly effective in induction of apoptosis in xenograft tumors, and is capable of complete inhibition of tumor growth. Debiopharm under a licence from Ascenta Therapeutics is developing AT-406 for the treatment of cancers.
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4198 |
66.4 nM [Ki] | ||
Target ID: CHEMBL5462 |
1.9 nM [Ki] | ||
Target ID: CHEMBL5335 |
5.1 nM [Ki] |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
Doses
| Dose | Population | Adverse events |
|---|---|---|
900 mg 1 times / day multiple, oral Highest studied dose Dose: 900 mg, 1 times / day Route: oral Route: multiple Dose: 900 mg, 1 times / day Sources: Page: p.854 |
unhealthy, ADULT n = 6 Health Status: unhealthy Condition: cancer Age Group: ADULT Sex: M+F Food Status: UNKNOWN Population Size: 6 Sources: Page: p.854 |
Sample Use Guides
5 to 900 mg AT406 (DEBIO1143) was given orally once daily on days 1-5 every 2 or 3 weeks until disease progressed or patients dropped out: DEBIO1143 was well tolerated at doses up to 900 mg and elicited pharmacodynamics effects at doses greater 80 mg.
Route of Administration:
Oral
AT-406 potently inhibits cell growth in the MDA-MB-231 breast and SK-OV-3 ovarian cancer cell lines with IC50 = 144 nM and 142 nM, respectively. AT-406 effectively induces cell death in a time- and dose-dependent manner, more than 50% of the MDA-MB-231 cancer cells underwent cell death upon treatment at 1 μM for 24 hours.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:06:41 GMT 2023
by
admin
on
Sat Dec 16 18:06:41 GMT 2023
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| Record UNII |
DH7Q8HYP47
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| Record Status |
Validated (UNII)
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| Record Version |
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admin on Sat Dec 16 18:06:41 GMT 2023 , Edited by admin on Sat Dec 16 18:06:41 GMT 2023
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