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Compound Detail

CHEMBL4804023

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CC1(C)N=C(N)N=C(N)N1OCCCSc1ccccc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4804023
Phase Preclinical
Structure Type MOL
InChI Key RRSVEWNGZQJQBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.9
MW (Da)
2.43
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.61
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 C14H20ClN5OS
MW 341.87
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.82

Data from ChEMBL 36 via Core Engine