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Compound Detail

CHEMBL1192685

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COc1cc2c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c(CO)c(CO)cc2cc1OC1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1192685
Phase Preclinical
Structure Type MOL
InChI Key DKLXINMEXJFCET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

600.7
MW (Da)
5.98
ALogP
9
HBA
2
HBD
119.6
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 C36H32N4O5
MW 600.67
Aromatic Rings 6
Heavy Atoms 45
NP-Likeness -0.30

Data from ChEMBL 36 via Core Engine