ARTEROLANE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3N1TN351VB

Structure
InChI Key ZNEZSLAXOUSCDT-KDJJSNTDSA-N
Smile CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3.Cc1ccc(S(=O)(=O)O)cc1
InChI
InChI=1S/C22H36N2O4.C7H8O3S/c1-20(2,23)13-24-19(25)12-14-3-5-21(6-4-14)26-22(28-27-21)17-8-15-7-16(10-17)11-18(22)9-15;1-6-2-4-7(5-3-6)11(8,9)10/h14-18H,3-13,23H2,1-2H3,(H,24,25);2-5H,1H3,(H,8,9,10)/t14-,15?,16?,17?,18?,21+,22-;

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H44N2O7S
Molecular Weight 564.75
AlogP 3.25
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 82.81
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Malaria, Falciparum 2 D016778 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL570680
FDA SRS 3N1TN351VB
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