Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5196919

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)(C)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5196919
Phase Preclinical
Structure Type MOL
InChI Key JOCQQTBGANYHKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
5.43
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.70
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClN3O
MW 327.82
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.75

Literature References

PubMed DOI Target Context # Activities
36439981 10.1039/d2md00196a Candida albicans 3
36439981 10.1039/d2md00196a [Candida] auris 3
36439981 10.1039/d2md00196a Lanosterol 14-alpha demethylase 3
36439981 10.1039/d2md00196a Unchecked 2
37480712 10.1016/j.ejmech.2023.115658 Candida albicans 2
36439981 10.1039/d2md00196a Cytochrome P450 3A4 1
36439981 10.1039/d2md00196a ADMET 1
37480712 10.1016/j.ejmech.2023.115658 [Candida] auris 1
37480712 10.1016/j.ejmech.2023.115658 Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine