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Compound Detail

CHEMBL4804036

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CC1(C)N=C(N)N=C(N)N1OCCSc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804036
Phase Preclinical
Structure Type MOL
InChI Key NSAUWZOUMQNHBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

327.8
MW (Da)
2.04
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H18ClN5OS
MW 327.84
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.79

Data from ChEMBL 36 via Core Engine