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Compound Detail

CHEMBL4597931

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Cn1ncc(Cl)c1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(Cl)cc2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597931
Phase Preclinical
Structure Type MOL
InChI Key TYZQOJAKKLYVJO-GOEBONIOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

435.4
MW (Da)
4.33
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.64
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 C20H20Cl2N4OS
MW 435.38
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine