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Compound Detail

CHEMBL5315628

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COc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5315628
Phase Preclinical
Structure Type MOL
InChI Key WTRWEXOEEMJOOD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
2.95
ALogP
9
HBA
2
HBD
105.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N7O2S
MW 447.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.57

Data from ChEMBL 36 via Core Engine