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Compound Detail

CHEMBL1191997

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COc1ccc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1191997
Phase Preclinical
Structure Type MOL
InChI Key SPRXUBHDDZKFSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
4.38
ALogP
5
HBA
1
HBD
60.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O3S
MW 366.44
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.04

Data from ChEMBL 36 via Core Engine