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Compound Detail

CHEMBL166680

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Cc1ccc2[nH]c(-c3ccccc3)nc2c1C(=O)NCCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL166680
Phase Preclinical
Structure Type MOL
InChI Key SDNPACQXYCCCFT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.83
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N4O
MW 322.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.25

Data from ChEMBL 36 via Core Engine