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Compound Detail

CHEMBL4117491

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O=C1Nc2ccccc2N(C(=O)CN2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc43)CC2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117491
Phase Preclinical
Structure Type MOL
InChI Key HIFBJQHXNXMRTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

586.6
MW (Da)
4.47
ALogP
6
HBA
2
HBD
105.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H30N6O4
MW 586.65
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -0.42

Data from ChEMBL 36 via Core Engine