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Compound Detail

CHEMBL1183664

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COc1cc2c(cc1OC)CN(CCc1ccccc1NC(=O)c1cccc3c(O)c4cccc(OC)c4nc13)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183664
Phase Preclinical
Structure Type MOL
InChI Key DSDAYTSUDNBYCX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

563.6
MW (Da)
5.97
ALogP
7
HBA
2
HBD
93.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H33N3O5
MW 563.65
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.69

Data from ChEMBL 36 via Core Engine