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Compound Detail

CHEMBL4803349

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CC1N=C(N)N=C(N)N1OCCCOc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL4803349
Phase Preclinical
Structure Type MOL
InChI Key GIASXIJFRXADGA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

311.8
MW (Da)
1.33
ALogP
7
HBA
2
HBD
98.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18ClN5O2
MW 311.77
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.53

Data from ChEMBL 36 via Core Engine