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Compound Detail

CHEMBL1190211

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N=C(N)SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190211
Phase Preclinical
Structure Type MOL
InChI Key ZDFZJOAXAPUMLZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
3.14
ALogP
6
HBA
4
HBD
113.0
PSA (Ų)
0.20
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O2S
MW 419.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.75

Data from ChEMBL 36 via Core Engine