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Compound Detail

CHEMBL3991135

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COc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCCN5CCN(CCCO)CC5)c4)nc3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3991135
Phase Preclinical
Structure Type MOL
InChI Key NCKMZTUTGFIFTA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

585.8
MW (Da)
4.45
ALogP
10
HBA
1
HBD
92.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H43N7O3
MW 585.75
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine