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Compound Detail

CHEMBL1193796

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CCOC(=O)C1=C(C)N=C2NCCCN2C1c1cccc(Cl)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193796
Phase Preclinical
Structure Type MOL
InChI Key OCOSXYWKHYSXFC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.3
MW (Da)
3.54
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19Cl2N3O2
MW 368.26
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.98

Data from ChEMBL 36 via Core Engine