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Compound Detail

CHEMBL1186361

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Clc1ccc(CC[C@@]2(Cn3ccnc3)OC[C@@H](Cn3ccnc3)O2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186361
Phase Preclinical
Structure Type MOL
InChI Key SQPXHMFZHASKAU-RTBURBONSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.9
MW (Da)
3.18
ALogP
6
HBA
0
HBD
54.1
PSA (Ų)
0.64
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 C19H21ClN4O2
MW 372.86
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.44

Data from ChEMBL 36 via Core Engine