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Compound Detail

CHEMBL1085369

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C[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccc(Cl)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1085369
Phase Preclinical
Structure Type MOL
InChI Key QGMFKGFHTXZZHX-DGIBIBHMSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
7
Publications
0
Known Names

Molecular Properties

337.8
MW (Da)
3.55
ALogP
2
HBA
3
HBD
56.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16ClN3O
MW 337.81
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.20

Pharmacokinetic Data

Parameter Value Units Species
CL - - Mus musculus
T1/2 1.717 hr Mus musculus

Literature References

PubMed DOI Target Context # Activities
20568778 10.1021/jm100410f Plasmodium falciparum 2
34058709 10.1016/j.ejmech.2021.113536 Plasmodium falciparum 2
20568778 10.1021/jm100410f Mus musculus 1
20568778 10.1021/jm100410f Cytochrome P450 2C9 1
20568778 10.1021/jm100410f Cytochrome P450 3A4 1
20568778 10.1021/jm100410f Cytochrome P450 2D6 1
23927720 10.1021/jm400314m Liver 1

Data from ChEMBL 36 via Core Engine