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Compound Detail

CHEMBL3972294

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O=C1NCC(c2ccc(N3CCOCC3)cc2)N1c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3972294
Phase Preclinical
Structure Type MOL
InChI Key DLTPTOQUQFPYRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.4
MW (Da)
2.67
ALogP
4
HBA
2
HBD
73.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O2
MW 363.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine