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Compound Detail

CHEMBL1188081

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CCN(CC)c1cc(/C=C/C(=O)N2C[C@@H](CBr)C3C2=CC(OC(=O)N2CCN(C)CC2)c2[nH]c(C)c(C(=O)OC)c23)ccc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1188081
Phase Preclinical
Structure Type MOL
InChI Key DHOCGCOMUBJWMH-BSKWVQSASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

698.7
MW (Da)
4.94
ALogP
8
HBA
1
HBD
107.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H44BrN5O6
MW 698.66
Aromatic Rings 2
Heavy Atoms 46
NP-Likeness -0.31

Data from ChEMBL 36 via Core Engine