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Compound Detail

CHEMBL2021683

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COc1cc(OC)c2c(=O)cc(C(=O)NCCCCCCCCCCNc3c4c(nc5cc(Cl)cc(Cl)c35)CCCC4)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2021683
Phase Preclinical
Structure Type MOL
InChI Key ZBIJYSUQXYNZEQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

654.6
MW (Da)
8.51
ALogP
7
HBA
2
HBD
102.7
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H41Cl2N3O5
MW 654.64
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness -0.49

Data from ChEMBL 36 via Core Engine