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Compound Detail

CHEMBL1186102

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COc1cc2c(cc1OC)CC(CC1CCN(CCCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186102
Phase Preclinical
Structure Type MOL
InChI Key BLQBKXIXNYWZQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.2
MW (Da)
7.10
ALogP
5
HBA
1
HBD
46.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H42ClN3O2
MW 548.17
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine