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Compound Detail

CHEMBL3138856

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COc1ccc(C(=O)N2CCN(c3nc(N)c4cc(OC)c(OC)cc4n3)[C@H]3CCCC[C@@H]32)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3138856
Phase Preclinical
Structure Type MOL
InChI Key YPZGDVOCTNSNRN-IRXDYDNUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

467.5
MW (Da)
3.10
ALogP
9
HBA
1
HBD
116.2
PSA (Ų)
0.60
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 C24H29N5O5
MW 467.53
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.62

Data from ChEMBL 36 via Core Engine