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Compound Detail

CHEMBL1190122

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O=C(CCc1ccc2nc(-c3ccccc3)c3c(c2c1)OCCC3)NCCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190122
Phase Preclinical
Structure Type MOL
InChI Key ISVMYZOITFYUKN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

619.2
MW (Da)
8.25
ALogP
5
HBA
2
HBD
76.1
PSA (Ų)
0.15
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H39ClN4O2
MW 619.21
Aromatic Rings 5
Heavy Atoms 45
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine