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Compound Detail

CHEMBL3990308

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COc1cc(OC)cc(N(CCO)c2ccc3ncc(-c4cnn(CCCN)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3990308
Phase Preclinical
Structure Type MOL
InChI Key HCFBZSOLPIWAPX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
2.99
ALogP
9
HBA
2
HBD
111.5
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N6O3
MW 448.53
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.17

Data from ChEMBL 36 via Core Engine