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Compound Detail

CHEMBL4803842

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CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4803842
Phase Preclinical
Structure Type MOL
InChI Key KSDIIXJGSLDNRG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
0.24
ALogP
7
HBA
3
HBD
118.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18N6O2
MW 290.33
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.80

Data from ChEMBL 36 via Core Engine