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Compound Detail

CHEMBL297015

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c1ccc(-c2nc(-c3ccc(OCCCn4ccnc4)cc3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL297015
Phase Preclinical
Structure Type MOL
InChI Key NVBFKBABKAABMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
5.14
ALogP
5
HBA
0
HBD
39.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3OS
MW 361.47
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.83

Data from ChEMBL 36 via Core Engine