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Compound Detail

CHEMBL99675

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Cn1cc(C2=C(c3c4n(c5ccccc35)CC(CCN)CC4)C(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99675
Phase Preclinical
Structure Type MOL
InChI Key VPGBMUFQHVRQOP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.61
ALogP
5
HBA
2
HBD
82.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H26N4O2
MW 438.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.05

Data from ChEMBL 36 via Core Engine