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Compound Detail

CHEMBL1190281

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COc1cc(C(=O)N2CC[C@](CCN3CCC(C(=O)N4CCOCC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

Basic Information

ChEMBL ID CHEMBL1190281
Phase Preclinical
Structure Type MOL
InChI Key QNQBWJMVOBQXKB-QNGWXLTQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

710.7
MW (Da)
6.09
ALogP
7
HBA
0
HBD
80.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H45Cl2N3O6
MW 710.70
Aromatic Rings 3
Heavy Atoms 49
NP-Likeness -0.86

Data from ChEMBL 36 via Core Engine