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Compound Detail

CHEMBL404431

OZ277
🧪 Phase III
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🧪 Phase III
CC(C)(N)CNC(=O)C[C@H]1CC[C@]2(CC1)OO[C@]1(O2)C2CC3CC(C2)CC1C3

Basic Information

ChEMBL ID CHEMBL404431
Name OZ277
Phase Phase III
Structure Type MOL
InChI Key VXYZBLXGCYNIHP-CAGINOIPSA-N

Known Names

Oz277
2
Targets
11
Activities
3
Assay Types
8
PK Parameters
20
Publications
1
Known Names
1
Indications

Molecular Properties

392.5
MW (Da)
3.25
ALogP
5
HBA
2
HBD
82.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem arte-

Extended Properties

Molecular Formula C22H36N2O4
MW 392.54
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 0.92

Indications

Malaria, Falciparum

Activity Summary

IC50 6 meas. best 8.8
EC50 4 meas. best 8.63
Ki 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
IC50 8.8 8.724 1.6 5
Plasmodium falciparum
CHEMBL364
EC50 8.63 8.605 2.3 4
Unchecked
CHEMBL612545
IC50 5.11 5.11 7700.0 1
Unchecked
CHEMBL612545
Ki 5.1 5.1 7900.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 2013.73 ng.hr.mL-1 Mus musculus
CL 17.0 mL.min-1.g-1 Mus musculus
CL 5.4 mL.min-1.g-1 Mus musculus
F 13.0 % Rattus norvegicus
T1/2 0.93 hr Mus musculus
T1/2 1.0 hr Rattus norvegicus
T1/2 2.133 hr Mus musculus
T1/2 2.133 hr Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20028825 10.1128/aac.01305-09 Plasmodium falciparum 30
28692297 10.1021/acs.jmedchem.7b00699 Plasmodium berghei 6
23489135 10.1021/jm400004u Plasmodium falciparum 5
23489135 10.1021/jm400004u No relevant target 3
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 3
28692297 10.1021/acs.jmedchem.7b00699 Liver 3
28692297 10.1021/acs.jmedchem.7b00699 Plasmodium falciparum 3
19487440 10.1128/aac.00363-09 ADMET 2
34267877 10.1021/acsmedchemlett.1c00031 ADMET 2
18268087 10.1128/aac.01033-07 Unchecked 2
19699641 10.1016/j.bmcl.2009.08.024 Plasmodium falciparum 2
33508479 10.1016/j.ejmech.2021.113193 Plasmodium berghei 2
17562801 10.1128/aac.00225-07 Babesia divergens 2
17562801 10.1128/aac.00225-07 Giardia intestinalis 2
17562801 10.1128/aac.00225-07 Plasmodium falciparum 2
19186946 10.1021/jm801484v Plasmodium berghei 2
17562801 10.1128/aac.00225-07 Unchecked 1
19159277 10.1021/np800711a Trypanosoma brucei rhodesiense 1
17562801 10.1128/aac.00225-07 Trypanosoma cruzi 1
17562801 10.1128/aac.00225-07 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine