AMONAFIDE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1Q8D39N37L

Structure
InChI Key UPALIKSFLSVKIS-UHFFFAOYSA-N
Smile CN(C)CCN1C(=O)c2cccc3cc(N)cc(c23)C1=O
InChI
InChI=1S/C16H17N3O2/c1-18(2)6-7-19-15(20)12-5-3-4-10-8-11(17)9-13(14(10)12)16(19)21/h3-5,8-9H,6-7,17H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17N3O2
Molecular Weight 283.33
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 66.64
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 39600 - - -
Enzyme Isomerase
- - - - 62-98

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia, Myeloid, Acute 2 D015470 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 1 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94661
ChEMBL CHEMBL428676
DrugBank DB05022
EPA CompTox DTXSID30219562
FDA SRS 1Q8D39N37L
PubChem 50515
SureChEMBL SCHEMBL27226
ZINC ZINC000004214836
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