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Compound Detail

CHEMBL4598127

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Nc1nc(N)c(-c2cccc(Cl)c2)c(CCc2ccccc2OCCCc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598127
Phase Preclinical
Structure Type MOL
InChI Key ACSYKKCQWSYFSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.0
MW (Da)
5.76
ALogP
5
HBA
2
HBD
87.0
PSA (Ų)
0.31
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27ClN4O
MW 458.99
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.63

Data from ChEMBL 36 via Core Engine