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Compound Detail

CHEMBL1740302

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Cc1nc2nc(C)n(CCN3CCOCC3)c(=O)c2c(-c2cccc([N+](=O)[O-])c2)c1C(=O)CCCCCCCCCCN1CCC(c2ccccc2)(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1740302
Phase Preclinical
Structure Type MOL
InChI Key OIEYZZYIHLZSMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

813.1
MW (Da)
9.09
ALogP
10
HBA
0
HBD
123.7
PSA (Ų)
0.03
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H60N6O5
MW 813.06
Aromatic Rings 5
Heavy Atoms 60
NP-Likeness -0.76

Data from ChEMBL 36 via Core Engine