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Compound Detail

CHEMBL1194887

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COc1cc2c(cc1OC)C(c1ccnc(-n3ccc4c(OCc5cccnc5)cccc4c3=O)c1)=N[C@H](CO)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194887
Phase Preclinical
Structure Type MOL
InChI Key VLKCAQJYGYQIJK-QHCPKHFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

548.6
MW (Da)
4.13
ALogP
9
HBA
1
HBD
108.1
PSA (Ų)
0.31
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H28N4O5
MW 548.60
Aromatic Rings 5
Heavy Atoms 41
NP-Likeness -0.37

Data from ChEMBL 36 via Core Engine