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Compound Detail

CHEMBL588509

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N=c1n(CCN2CCCCC2)c2ccccc2n1CC(O)c1cccc(Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL588509
Phase Preclinical
Structure Type MOL
InChI Key BGNXMDRDUPEAQZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

443.4
MW (Da)
3.90
ALogP
5
HBA
2
HBD
57.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27BrN4O
MW 443.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine