Compound Detail

CHEMBL1185452

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OC/C=C1/C[N+]2(C3C=CCCC3)CC[C@@H]3[C@@H]4/C(=C\N5c6ccccc6[C@@]67CC[N+]8(C9C=CCCC9)CC9=CCO[C@H]([C@@H]([C@H]56)[C@H]9C[C@@H]78)N4c4ccccc4)[C@H]1C[C@@H]32

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1185452
Phase	Preclinical
Structure Type	MOL
InChI Key	JMUQZICSXGDWKN-CKHRIRLCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

749.1

MW (Da)

7.78

ALogP

HBA

HBD

35.9

PSA (Å²)

0.26

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C50H60N4O2+2
MW	749.06
Aromatic Rings	2
Heavy Atoms	56
NP-Likeness	1.66

Data from ChEMBL 36 via Core Engine