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Compound Detail

CHEMBL3040056

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CC(C)Oc1cc(NC(=N)c2ccccn2)ccc1-c1cc(Cl)cc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040056
Phase Preclinical
Structure Type MOL
InChI Key CQALMUSHLARBPU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

442.0
MW (Da)
7.29
ALogP
3
HBA
2
HBD
58.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H24ClN3O
MW 441.96
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.03

Data from ChEMBL 36 via Core Engine