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Compound Detail

CHEMBL1187461

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O=C(Cc1ccc(-c2ccccc2)cc1)Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)N(CC1CCC1)CC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1187461
Phase Preclinical
Structure Type MOL
InChI Key KXHUUIJDLZRBQX-VXMNRCMCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

521.7
MW (Da)
6.48
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H39NO3
MW 521.70
Aromatic Rings 3
Heavy Atoms 39
NP-Likeness 0.49

Data from ChEMBL 36 via Core Engine