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Compound Detail

CHEMBL99772

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Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)/C=C/c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCC(=N)N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99772
Phase Preclinical
Structure Type MOL
InChI Key USVQMKFVOLSXMO-RMKNXTFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

723.7
MW (Da)
4.20
ALogP
9
HBA
6
HBD
184.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H40Cl2N10O4
MW 723.67
Aromatic Rings 4
Heavy Atoms 50
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10121-4 L1210 3
- 10.1016/S0960-894X(97)10121-4 ADMET 2

Data from ChEMBL 36 via Core Engine