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Compound Detail

CHEMBL3182703

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O=C(Nc1cc(N2CCNCC2)ncn1)c1ccccc1.O=CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3182703
Phase Preclinical
Structure Type MOL
InChI Key DUJRNNMBZLAVEN-UHFFFAOYSA-N
Parent Compound CHEMBL3304441
Active Moiety CHEMBL3304441
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
1.14
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N5O3
MW 329.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.76

Data from ChEMBL 36 via Core Engine