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Compound Detail

CHEMBL1625524

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COc1cccc2sc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1625524
Phase Preclinical
Structure Type MOL
InChI Key KGHCKYAADOQTDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
5.42
ALogP
5
HBA
0
HBD
45.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N3O2S
MW 459.62
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.43

Data from ChEMBL 36 via Core Engine