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Compound Detail

CHEMBL3717172

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C#Cc1cc(Oc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc2N)c(C(C)C)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3717172
Phase Preclinical
Structure Type MOL
InChI Key FNSCPEGYQUQKHN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
2.80
ALogP
8
HBA
2
HBD
119.7
PSA (Ų)
0.61
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 C22H29N5O4S
MW 459.57
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine