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Compound Detail

CHEMBL572410

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COc1cccc(N2CCC(CNC(=O)Nc3c(C(C)C)cc(N)cc3C(C)C)(c3cccc(OC)c3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL572410
Phase Preclinical
Structure Type MOL
InChI Key BVBFVIRNWIQQHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

544.7
MW (Da)
6.89
ALogP
5
HBA
3
HBD
88.8
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H44N4O3
MW 544.74
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.91

Data from ChEMBL 36 via Core Engine