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Compound Detail

CHEMBL1180070

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C/C(=N\NC(N)=O)c1ccc(OCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1180070
Phase Preclinical
Structure Type MOL
InChI Key GYWPLFKAZIVXBG-YBFXNURJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
1.81
ALogP
4
HBA
3
HBD
105.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N5O2
MW 301.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine