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Compound Detail

CHEMBL4301489

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COc1cc(C(=N)N)cc(Br)c1OCCCCCOc1c(Br)cc(C(=N)N)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301489
Phase Preclinical
Structure Type MOL
InChI Key HOGUUERPRGYBEK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

558.3
MW (Da)
4.43
ALogP
6
HBA
4
HBD
136.7
PSA (Ų)
0.17
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26Br2N4O4
MW 558.27
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.02

Data from ChEMBL 36 via Core Engine