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Compound Detail

CHEMBL1185269

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OC(CCCN1CCC(C2CCN(CCCC(O)(c3ccccc3)c3ccccc3)CC2)CC1)(c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185269
Phase Preclinical
Structure Type MOL
InChI Key ANUNMVJZPWGZDH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

616.9
MW (Da)
7.84
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.16
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C42H52N2O2
MW 616.89
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness -0.21

Data from ChEMBL 36 via Core Engine