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Compound Detail

CHEMBL3956928

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O=C1NCC(c2ccc3c(c2)OCCO3)N1c1ccc2nc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3956928
Phase Preclinical
Structure Type MOL
InChI Key SKLPRNTUXRWDGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
2.61
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16N4O3
MW 336.35
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.71

Data from ChEMBL 36 via Core Engine