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Compound Detail

CHEMBL1208022

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O=C(O)Cc1ccc2[nH]c3c(c2c1)CN(CCc1ccccc1)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208022
Phase Preclinical
Structure Type MOL
InChI Key IOQJMRKUZNRFEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.40
ALogP
2
HBA
2
HBD
56.3
PSA (Ų)
0.75
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 C21H22N2O2
MW 334.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.70

Data from ChEMBL 36 via Core Engine