Details of the Drug

General Information of Drug (ID: DM7CNTG)

Drug Name

AMG 397

Synonyms

UNII-BO0V7196L2; BO0V7196L2; Murizatoclax; Murizatoclax [USAN]; SCHEMBL21040009; WHO 11281; (13S,31R,32R,4R,5E,8S,9R)-6'-Chloro-4-methoxy-8,9-dimethyl-4-(((9aR)-octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)methyl)-3',4'-dihydro-12H,14H,2'Hspiro(10lambda6-thia-11-aza-1(5,7)-(1,5)benzoxazepina-3(1,2)-cyclobutanacyclododecaphan-5-ene-13,1'-naphthalene)-10,10,12-trione; 2245848-05-7; Spiro(5,7-etheno-1H,11H-cyclobut(i)(1,4)oxazepino(3,4-f)(1,2,7)thiadiazacyclohexadecine-2(3H),1'(2'H)-naphthalen)-8(9H)-one, 6'-chloro-3',4',12,13,16,16a,17,18,18a,19-decahydro-16-methoxy-11,12-dimethyl-16-(((9aR)-octahydro-2H-pyrido(1,2-a)pyrazin-2-yl)methyl)-, 10,10-dioxide, (1'S,11R,12S,14E,16R,16aR,18aR)-

Indication

Disease Entry	ICD 11	Status	REF
Refractory hematologic malignancy	2A85.5	Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

765.4

Logarithm of the Partition Coefficient (xlogp)

7.3

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

8

Chemical Identifiers

Formula: C42H57ClN4O5S
IUPAC Name: (3'R,4S,6'R,7'R,8'E,11'S,12'R)-7'-[[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]methyl]-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
Canonical SMILES: C[C@H]1C/C=C/[C@@]([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)(CN7CCN8CCCC[C@@H]8C7)OC
InChI: InChI=1S/C42H57ClN4O5S/c1-29-8-6-18-42(51-3,27-45-20-21-46-19-5-4-10-35(46)25-45)37-14-11-33(37)24-47-26-41(17-7-9-31-22-34(43)13-15-36(31)41)28-52-39-16-12-32(23-38(39)47)40(48)44-53(49,50)30(29)2/h6,12-13,15-16,18,22-23,29-30,33,35,37H,4-5,7-11,14,17,19-21,24-28H2,1-3H3,(H,44,48)/b18-6+/t29-,30+,33-,35+,37+,41-,42-/m0/s1
InChIKey: BJTFTQIBRVBSBH-VCQPVEJUSA-N

Cross-matching ID

PubChem CID: 138669688
CAS Number: 2245848-05-7
TTD ID: DBI81F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1)	TTL53M6	MCL1_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Refractory hematologic malignancy

ICD Disease Classification

2A85.5

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Induced myeloid leukemia cell differentiation protein Mcl-1 (MCL1)	DTT	MCL1	1.06E-04	1.29	2.97

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03465540) Safety, Tolerability, Pharmacokinetics and Efficacy of AMG 397 in Subjects With Selected Relapsed or Refractory Hematological Malignancies. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of Amgen.