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Compound Detail

CHEMBL1619798

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CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1619798
Phase Preclinical
Structure Type MOL
InChI Key QYTLGHWFFIOPDG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
4.35
ALogP
6
HBA
2
HBD
70.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O3S
MW 451.59
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.40

Data from ChEMBL 36 via Core Engine