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Compound Detail

CHEMBL48618

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c1ccc(-c2nc(-c3ccc(OCCCCn4ccnc4)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48618
Phase Preclinical
Structure Type MOL
InChI Key DYCYDQXGJWZSOH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
5.53
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N3OS
MW 375.50
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.73

Data from ChEMBL 36 via Core Engine