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Compound Detail

CHEMBL3305034

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N=C(N)c1ccc(OCc2ccc(COc3ccc(C(=N)N)cc3Br)cc2)c(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3305034
Phase Preclinical
Structure Type MOL
InChI Key BHNDJAMYGGKLRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

532.2
MW (Da)
4.94
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.24
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 C22H20Br2N4O2
MW 532.24
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.28

Data from ChEMBL 36 via Core Engine