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Compound Detail

CHEMBL4116650

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NCc1ccnc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4116650
Phase Preclinical
Structure Type MOL
InChI Key HZOSNBJSMRCDMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

389.5
MW (Da)
4.48
ALogP
5
HBA
2
HBD
77.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O2S
MW 389.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.73

Data from ChEMBL 36 via Core Engine