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Compound Detail

CHEMBL3138857

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COc1cc2nc(N3CCN(C(=O)c4ccc(Br)o4)[C@H]4CCCC[C@@H]43)nc(N)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138857
Phase Preclinical
Structure Type MOL
InChI Key CKDALLRCYSNSRF-HOTGVXAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

516.4
MW (Da)
3.86
ALogP
8
HBA
1
HBD
107.0
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26BrN5O4
MW 516.40
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.94

Data from ChEMBL 36 via Core Engine