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Compound Detail

CHEMBL1195365

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CCCNC(=O)NCC(=O)N(C)c1ccc(Cl)c(COc2cccn3c(Br)c(C)nc23)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1195365
Phase Preclinical
Structure Type MOL
InChI Key XWZURZUAVUCSPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.3
MW (Da)
4.96
ALogP
5
HBA
2
HBD
88.0
PSA (Ų)
0.41
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H24BrCl2N5O3
MW 557.28
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.75

Data from ChEMBL 36 via Core Engine